LISTE COMPLETE

des

PUBLICATIONS

1976-2000

PLAN

Publications traditionnelles 3

Publications électroniques 12

Communications, posters 15

Conférences invitées 19

Publications traditionnelles

- 114 “The room-temperature crystallisation of a one-dimensional gallium fluorophosphate, Ga(HPO₄)₂F.H₃N(CH₂)₃NH₃·2H₂O, a precursor to three-dimensional microporous gallium fluorophosphates.” R.I. Walton, F. Millange, D. O’Hare, A. Le Bail, T. Loiseau, C. Serre, G. Férey, Chem. Comm. 3, 203-204 (2000).

- 113 “Combining the Reverse Monte Carlo and the Rietveld Glass Structure Modelling Methods.” A. Le Bail, The Chemistry Preprint Server, CPS: inorgchem/0008001 (2000), http://preprint.chemweb.com/

- 112 “ESPOIR : A Program for Solving Structures by Monte Carlo from Powder Diffraction Data.” A. Le Bail, Mat. Sci. Forum, in press.

- 111 “Structure Determination by Powder Diffractometry : Internet Course.” A. Le Bail, Y. Laligant and A. Jouanneaux, Mat. Sci. Forum, in press.

- 110 "Trends in structure determination by powder diffractometry." A. Le Bail, Advances in Stucture Analysis, in press.

- 109 "Reverse Monte Carlo and Rietveld Modelling of the NaPbM₂F₉ (M = Fe, V) Fluoride Glass Structures." A. Le Bail, J. Non -Cryst. Solids 271, 249-259 (2000).

- 108 "New developments in microstructure analysis via Rietveld refinements." A. Le Bail, Advances in X-ray Analysis, Vol. 42., 191-203 (2000).

- 107 "Investigation of mixed divalent cation phosphates: synthesis and X-ray powder structure determination of CdBa₂(P₂O₇)(HPO₄). L. Ben Taher, L. Smiri, Y. Laligant and A. Le Bail, Solid State Sciences 2, 285-292 (2000).

- 106 “Accounting for size and microstrain in whole-powder pattern fitting.” A. Le Bail, in : Defect and Microstructure Analysis by Diffraction, R. Snyder, J. Fiala & H. Bunge Editors, Oxford Science Publications, Chapter 22, 535-555 (1999).

- 105 "Structure of [Co(NH₃)₅CO₃]NO₃•H₂O." J.H. Zhu, H.X. Wu and A. Le Bail, Solid State Science 1, 55-62 (1999).

- 104 "Structure of a-NaCaAlF₆ determined ab initio from conventional powder diffracton data." A. Le Bail, A. Hemon-Ribaud and G. Courbion, Eur. J. Solid State Inorg. Chem. 35, 265-272 (1998).

- 103 "Li₆P₆O₁₈: X-ray powder structure determination of lithium cyclohexaphosphate." T. Ben-Chaabane, L. Smiri-Dogguy, Y. Laligant and A. Le Bail, Eur. J. Solid State Inorg. Chem. 35, 255-264 (1998).

- 102 "Synthesis and crystal structure of alpha-Ba₂ZrF₈ and Pb₂ZrF₈ determined ab initio from synchrotron and neutron powder diffraction data." A. Le Bail and J.P. Laval, Eur. J. Solid State Inorg. Chem. 35, 357-372 (1998).

- 101 "Structure of Na₂Ca(HPO₄)₂ Determined ab initio from Conventional Powder Diffraction Data." T. Ben Chaabane, L. Smiri-Dogouy, Y. Laligant and A. Le Bail, Eur. J. Solid State Inorg. Chem. 34, 937-946 (1997).

- 100 "Structure of BaGaF₅.2H₂O from Conventional and Synchrotron Powder Diffraction Data." A. Jouanneaux and A. Le Bail, Eur. J. Solid State Inorg. Chem. 34, 925-936 (1997).

- 99 "Structure of Zeolitic K₂TiSi₃O₉•H₂O Determined ab initio from Powder Diffraction Data." M.S. Dadachov and A. Le Bail, Eur. J. Solid State Inorg. Chem. 34, 381-390 (1997).

- 98 "Qualitative Account for Anisotropic Broadening in Whole Powder Diffraction Pattern Fitting by Second-Rank Tensors." A. LE BAIL and A. JOUANNEAUX, J. Appl. Cryst., 30, 265-271 (1997).

- 97 "Structure of Sr₅Zr₃F₂₂ Determined from an Inversion Twinned Crystal." A. LE BAIL, Eur. J. Solid State Inorg. Chem., 33, 1211-1222 (1996).

- 96 "Barium-Oxomercurato(II)-Oxoruthenate(VI) BaHgRuO₅: A new Oxomercurate with a Cyclic Mercurate-Ruthenate Anion. High Pressure Synthesis and Ab Initio Structure Approach by X-Ray Powder Diffraction." Th. HANSEN, A. LE BAIL and Y. LALIGANT, Materials Science Forum, Vols 228-231, 729-734 (1996).

- 95 "Structure of FeVMoO₇." A. LE BAIL, L. PERMER and Y. LALIGANT, Eur. J. Solid State Inorg. Chem. 32, 883-892 (1995).

- 94 "Synthesis and Structure Approach of Barium Oxomercurato(II)-Oxoruthenate(VI) BaRuHgO₅," T. HANSEN, A. LE BAIL and Y. LALIGANT, J. Solid State Chem. 120, 223-230 (1995).

- 93 "Crystal Structure of Fe₄V₂Mo₃O₂₀ determined from Conventional X-ray Powder Diffraction Data," Y. LALIGANT, L. PERMER and A. LE BAIL, Eur. J. Solid State Inorg. Chem., 32, 325-334 (1995).

- 92 "Modelling the Silica Glass Structure by the Rietveld Method." A. LE BAIL, J. Non-Cryst. Solids, 183, 39-42 (1995).

- 91 "Helical Octahedral cis Chains in a'-BaFeF₅." A. LE BAIL and A.M. MERCIER, Eur. J. Solid State Inorg. Chem., 32, 15-24 (1995).

- 90 "Structure of [Pd(NH₃)₄]Cr₂O₇." Y. LALIGANT and A. LE BAIL, Powder Diffraction, 10, 159-164 (1995).

- 89 "Ab initio Crystal Structure Determination of VO(H₂PO₂)₂.H₂O from X-ray and Neutron Powder Diffraction Data. A Monodimensional Vanadium(IV) Hypophosphite." A. LE BAIL, M.D. MARCOS and P. AMOROS, Inorg. Chem. 33, 2607-2613 (1994).

- 88 "Synthesis and Crystal Structure of Li₈Bi₂PdO₁₀ Determined Ab Initio from X-ray Powder Diffraction Data", Y. LALIGANT and A. LE BAIL, Eur. J. Solid State Inorg. Chem. 30, 689-698 (1993).

- 87 "Synthesis and Crystal Structure of a Tubular Hydroxyphosphite: Zn₁₁(HPO₃)₈(OH)₆", M.D. MARCOS, P. AMOROS and A. LE BAIL, J. Solid State Chem. 107, 250-257 (1993).

- 86 "Synthesis and Structure Approach of K₃Ba₇Al₆F₃₃Cl₂", A. LE BAIL, A. HEMON-RIBAUD and G. COURBION, J. Solid State Chem., 107, 234-244 (1993).

- 85 "b-Ba₃AlF₉, a Complex Structure Determined from Conventional X-Ray Powder Diffraction", A. LE BAIL, J. Solid State Chem., 103, 287-291 (1993).

- 84 "Crystal Structure Approach of KCaAl₂F₉. A New Hexagonal-Tungsten-Bronze Related Structure", A. HEMON, A. LE BAIL and G. COURBION, Eur. J. Solid State Inorg. Chem., 30, 415-426 (1993).

- 83 "The Structure of Li₃Cu₂O₄, a Compound With Formal Mixed Valence" R BERGER, P. ONNERUD, Y. LALIGANT and A. LE BAIL, J. of Alloys and Compounds, 190, 295-299 (1993).

- 82 "On the Structure of Na₅V₂P₃O₁₄.H₂O", A. LE BAIL, J. Solid State Chem., 102, 281-282 (1993).

- 81 "Modelling Anisotropic Crystallite Size/Microstrain in Rietveld Analysis", A. LE BAIL, N.I.S.T. Special Publication 846, 142-153 (1992).

- 80 "Synthesis and crystal structure of g-BaZrF₆", A. LE BAIL and A.M. MERCIER, J. Solid State Chem. 101, 229-236 (1992).

- 79 "t-AlF₃: Crystal structure determination from X-ray powder diffraction data. A new MX₃ corner-sharing octahedra 3D network." A. LE BAIL, J.L. FOURQUET and U. BENTRUP, J. Solid State Chem. 100, 151-159 (1992).

- 78 "Crystal structure and thermal behaviour of H₂Ti₃O₇: a new defective ramsdellite form from Li⁺/H⁺ exchange on Li₂Ti₃O₇", A. LE BAIL and J.L. FOURQUET, Mat. Res. Bull. 27, 75-85 (1992).

- 77 "Synthesis and crystal structure of a-NH₄(VO₂)(HPO₄)", P. AMOROS and A. LE BAIL, J. Solid State Chem. 97, 283-291 (1992).

- 76 "Crystal structure and thermolysis of K₂(H₅O₂)Al₂F₉", A. LE BAIL, H. DUROY and J.L. FOURQUET, J. Solid State Chem. 98, 151-158 (1992).

- 75 "Polymorphism of CsAlF₄. Synthesis and structure of two new crystalline forms". U. BENTRUP, A. LE BAIL, H. DUROY and J.L. FOURQUET, Eur. J. Solid State Inorg. Chem. 29, 371-381 (1992).

- 74 "Synthesis, X-ray single crystal structure determination and dehydration study of BaZr₂F₁₀.2H₂O by X-ray powder Thermodiffractometry", Y. GAO, J. GUERY, A. LE BAIL and C. JACOBONI, J. Solid State Chem. 98, 11-24 (1992).

- 73 "Structure and phase transitions of low-dimensional Thallium Vanadium Bronze Tl_xV₂O₅ (0.44<x<0.48)", M. GANNE, A. JOUANNEAUX, M. TOURNOUX and A. LE BAIL, J. Solid State Chem. 97, 186-198 (1992).

- 72 "Crystal structure of Pb₂MnFe₂F₁₂.3H₂O, A. LE BAIL and A.M. MERCIER, Acta Cryst. C48, 239-241 (1992).

- 71 "Crystal structure of Pb₈MnFe₂F₂₄", A. LE BAIL and A.M. MERCIER, Eur. J. Solid State Inorg. Chem.. 29, 183-190 (1992).

- 70 "Crystalline phases related to the icosahedral Al-Li-Cu phase: a single crystal X-ray diffraction study of the tetragonal tau-Al5₆(Cu,Zn)₁₁Li₃₃ phase". M. LEBLANC, A. LE BAIL and M. AUDIER, Physica B 173, 329-355 (1991).

- 69 "Crystalline phases related to the icosahedral Al-Li-Cu phase: A single crystal X-ray diffraction study of the hexagonal Z-Al₅₉Cu₅Li₂₆Mg₁₀ phase". A. LE BAIL, M. LEBLANC and M. AUDIER, Acta Cryst. B47, 451-457 (1991).

- 68 "Structure of the decahydrated octaacetate of dineodyme (III) and cobalt (II), Nd₂Co(CH₃COO)₈.10H₂O". A. GONZALEZ, A. BELTRAN and A. LE BAIL, Acta Cryst. C47, 1624-1627 (1991).

- 67 "Layer structure of [CoCl(H₂PO₂)].H₂O". M.D. MARCOS, R. IBANEZ, P. AMOROS and A. LE BAIL, Acta Cryst. C47, 1152-1155 (1991).

- 66 "Synthesis, crystal structure and magnetic properties of Co₃(HPO₄)₂(OH)₂ related to the mineral Lazulite". J.L. PIZARRO, G. VILLENEUVE, P. HAGENMULLER and A. LE BAIL, J. Solid State Chem. 92, 273-285 (1991).

- 65 "Crystal structure of Pd(NO₃)₂(H₂O)₂". Y. LALIGANT, G. FEREY and A. LE BAIL, Mat. Res. Bull. 26, 269-275 (1991).

- 64 "Recent advances in the chemistry and properties of oxovanadium phosphates". D. BELTRAN-PORTER, A. BELTRAN-PORTER, P. AMOROS, R. IBANEZ, E. MARTINEZ, A. LE BAIL, G. FEREY, G. VILLENEUVE. Eur. J. Solid State Inorg. Chem. 28, 131-161 (1991).

- 63 "Synthesis and crystal structure of NaSrAlF₆". A. HEMON, A. LE BAIL and G. COURBION, Eur. J. Solid State Inorg. Chem. 27, 905-912 (1990).

- 62 "Defect structure of the anion-excess fluorite-related SmF_1.60O_0.70 phase". J.P. LAVAL, A. ABAOUZ, B. FRIT AND A. LE BAIL, Eur. J. Solid State Inorg. Chem. 27, 545-555 (1990).

- 61 "Structure determination of NiV₂O₆ from X-ray powder diffraction: a rutile-ramsdellite intergrowth". A. LE BAIL and M.A. LAFONTAINE, Eur. J. Solid State Inorg. Chem. 27, 671-680 (1990).

- 60 "Structure determination of b and g-BaAlF₅ by X-ray and neutron powder diffraction. A model for the a®b«g transitions". A. LE BAIL, G. FEREY, A.M. MERCIER, A. De KOZAK and M. SAMOUEL, J. Solid State Chem. 89, 282-291 (1990).

- 59 "The crystal and molecular structures of [Cr(NH₃)₆].[Ni(H₂O)₆].Cl₅.(NH₄Cl)_0.5". M.C. MORON, A. LE BAIL and J. PONS, J. Solid State Chem. 88, 498-504 (1990).

- 58 "NH₄CdF₃ : Structure of the low temperature phase."A. LE BAIL, J.L. FOURQUET, J. RUBIN, E. PALACIOS and J. BARTOLOME, Physica B 162, 231-236 (1990).

- 57 "Synthesis and crystal structure of Na_1+xV₄P₄O₁₇(OH) (x = 1.44)" A. LE BAIL, M. LEBLANC and P. AMOROS, J. Solid State Chem. 87, 178-185 (1990).

- 56 "Short-range order in the anion-excess fluorite-related Ca_0.68Ln_0.32F_2.32 solid solutions: EXAFS study of the Ln³⁺ environment." J.P. LAVAL, A. ABAOUZ, B. FRIT and A. LE BAIL, J. Solid State Chem. 85, 133-143 (1990).

- 55 "A new structure type in mixed valence fluorinated compounds: K₅Cr²⁺₄Cr³⁺₆F₃₁." Y. LALIGANT, A. LE BAIL, M. LEBLANC and G. FEREY, J. Solid State Chem. 85, 151-158 (1990).

- 54 "Structure determination of A₂NaAl₃F₁₂ (A = K,Rb)." A. LE BAIL, Y. GAO, J.L. FOURQUET and C. JACOBONI, Mat. res. Bull. 25, 831-839 (1990).

- 53 "Mossbauer study of a new crystalline fluoride: NaPbFe₂F₉." J.M. GRENECHE, A. LE BAIL, M. LEBLANC, Hyperfine Interactions 54, 545-550 (1990).

- 52 "Reinvestigation of the structure of K₂FeF₅." A. LE BAIL, A. DESERT and J.L. FOURQUET, J. Solid State Chem. 84, 408-412 (1990).

- 51 "Copper containing minerals: I. Cu₃V₂O₇(OH)₂.2H₂O: the synthetic homologue of volborthite; crystal structure determination from X-ray and neutron data; structural correlations." M.A. LAFONTAINE, A. LE BAIL and G. FEREY, J. Solid State Chem. 85, 220-227 (1990).

- 50 "Structure determination of NaPbFe₂F₉ by X-ray powder diffraction." A. LE BAIL, J. Solid State Chem. 83, 267-271 (1989).

- 49 "Structure of vanadyl hydrogenphosphate dihydrate a-VO(HPO₄).2H₂O solved from X-ray and neutron powder diffraction". A. LE BAIL, G. FEREY, P. AMOROS and D. BELTRAN-PORTER, Eur. J. Solid State Inorg. Chem. 26, 419-426 (1989).

- 48 "(NH₄)₂FeF₅: crystal structures of its a and b forms." J.L. FOURQUET, A. LE BAIL, H. DUROY and M.C. MORON, Eur. J. Solid State Inorg. Chem. 26, 435-443 (1989).

- 47 "Crystal structure determination of Rb₂Cr₅F₁₇". Y. LALIGANT, A. LE BAIL and G. FEREY, Eur. J. Solid State Inorg. Chem. 26, 445-454 (1989).

- 46 "Crystal structure of Rb₂NaAl₆F₂₁; a new term of the A₂Na(Al_xF_3x+1)₃ family (A = Rb, Cs). A. LE BAIL, Y. GAO and C. JACOBONI, Eur. J. Solid State Inorg. Chem. 26, 281-288 (1989).

- 45 "Crystal structure of Na₃Sr₄Al₅F₂₆". A. HEMON, A. LE BAIL and G. COURBION, J. Solid State Chem. 81, 299-304 (1989).

- 44 "Li⁺/H⁺ topotactic exchange on LiSbO₃: The series Li_1+xH_xSbO₃ (0<x<1)." J.L. FOURQUET, P.A. GILLET and A. LE BAIL, Mat. Res. Bull. 24, 1207-1214 (1989).

- 43 "Complex Palladium Oxides V. Crystal structure of LiBiPd₂O₄. An example of three different fourfold coordinations of cations." Y. LALIGANT, A. LE BAIL and G. FEREY, J. Solid State Chem., 81, 58-64 (1989).

- 42 "Crystal structure of Li₃ThF₇ solved by X-ray and neutron diffraction". Y. LALIGANT, A. LE BAIL, D. AVIGNANT, J.C. COUSSEINS et G. FEREY, J. Solid State Chem., 80, 206-212 (1989).

- 41 "Crystal structure of b-VO(HPO₄).2H₂O solved from X-ray powder diffraction". A. LE BAIL, G. FEREY, P. AMOROS, D. BELTRAN-PORTER and G. VILLENEUVE, J. Solid State Chem. 79, 169-176 (1989).

- 40 "Synthetic pathways to vanadyl phosphates". D. BELTRAN-PORTER, P. AMOROS, R. IBANEZ, E. MARTINEZ, A. BELTRAN-PORTER, A. LE BAIL, G. FEREY, G. VILLENEUVE, Solid state Ionics, 32/33, 57-69 (1989).

- 39 "Crystal structure and protonic conductivity of pyrochlore phases Al₂[(OH_)1-xF_x]₆.H₂O and Al₂[(OH)_1-xF_x]₆ (x=0.5)." J.L. FOURQUET, M. RIVIERE, A. LE BAIL, M. NYGRENS and J. GRINS, Eur. J. Solid State Inorg. Chem. 25, 535-540 (1988).

- 38 "Crystal structure of A(VO₂)(HPO₄) , (A=NH⁴⁺,K⁺,Rb⁺) solved from X-ray powder diffraction". P. AMOROS, D. BELTRAN-PORTER, A. LE BAIL, G. FEREY and G. VILLENEUVE., Eur. J. Solid State Inorg. Chem. 25, 599-607 (1988).

- 37 "Determination of the crystal structure of Li₂TbF₆ from X-ray and neutron powder diffraction. An example of Lithium in fivefold coordination". Y. LALIGANT, A. LE BAIL, G. FEREY, D. AVIGNANT and J.C. COUSSEINS, Eur. J. Solid State Inorg. Chem. 25, 551-563 (1988).

- 36 "Chemical vapour deposition of fluorides. Molecular dynamic simulation of amorphous systems" B. BOULARD, A. LE BAIL, C. JACOBONI and J.H. SIMMONS, Materials Science Forum 32-33, 61-68 (1988).

- 35 "Crystal structure of the metastable form of aluminium trifluoride b-AlF₃ and the gallium and indium homologs". A. LE BAIL, C. JACOBONI, M. LEBLANC, R. DE PAPE, H. DUROY, and J.L. FOURQUET, J. Solid State Chem. 77, 96-101 (1988).

- 34 "Li⁺/H⁺ topotactic exchange on beta-Li_(1-x)Nb_(1-x)W_xO₃ (0<x<0.5). The series H_(1-x)Nb_(1-x)W_xO₃ . J.L. FOURQUET, P.A. GILLET and A. LE BAIL, Mat. Res. Bull. 23, 1253-1260 (1988).

- 33 "LiNbWO₆ : crystal structure of its two allotropic forms ". J.L. FOURQUET, A. LE BAIL and P.A. GILLET, Mat. Res. Bull. 23, 1163-1170 (1988).

- 32 "Synthesis and ab-initio structure determination from X-ray powder data of Ba₂PdO₃ with sevenfold coordinated Ba²⁺. Structural correlations with K₂NiF₄ and Ba₂NiF₆". Y. LALIGANT, A. LE BAIL, G. FEREY, M. HERVIEU, B. RAVEAU, A. WILKINSON and A.K. CHEETHAM, Eur. J. Solid State Inorg. Chem. 25, 237-247 (1988).

- 31 "Ordered Pd²⁺-Cu²⁺ substitution in 1.2.3. superconductor : the oxide YBa₂Cu_(3-x)Pd_xO_y (x = 0.5) with Pd²⁺ in square planar coordination". G. FEREY, A. LE BAIL, Y. LALIGANT, M. HERVIEU, B. RAVEAU, A. SULPICE and R. TOURNIER, J. Solid State Chem. 73, 610-614 (1988).

- 30 "Electron microscopy study of the superconductor Bi₂Sr₂CaCu₂O₈₊". M. HERVIEU, C. MICHEL, B. DOMENGES, Y. LALIGANT, A. LE BAIL, G. FEREY and B. RAVEAU, Modern Physics Letters B, 2(1), 491-500 (1988).

Republié comme article dans "Chemical and structural aspects of high temperature superconductors" World Scientific-Ed. C.N.R. RAO, F.R.S, Progress in High Temperature Superconductivity, Vol 7, p.159-168 (1988).

- 29 "Ab-initio structure determination of LiSbWO₆ by XRay powder diffraction" A. LE BAIL, H. DUROY et J.L. FOURQUET, Mat. Res. Bull. 23, 447-452 (1988).

- 28 "Structural aspects of amorphous iron (III) fluorides J.M. GRENECHE, A. LE BAIL, M. LEBLANC, A. MOSSET, F. VARRET, J. GALY and G. FEREY, J. Phys. C : Solid State Phys. 21, 1351-1361 (1988).

- 27 "Les variétés bronze de tungstène hexagonal des trifluorures VF₃ et CrF₃" R. DE PAPE, A. LE BAIL, F. LUBIN et G. FEREY, Revue de Chimie Minérale 24, 545-551 (1987).

- 26 "Structure of fluorozirconate glasses: a quasi crystalline modelling of BaZr₂F₁₀" A. LE BAIL, B. BOULARD and C. JACOBONI, Materials Science Forum 19-20 ,127-136 (1987).

- 25 "A premartensitic phase in KAlF₄ : neutron and X-ray scattering evidences" A. GIBAUD, A. BULOU, A. LE BAIL, J. NOUET and C.M.E. ZEYEN, J. Physique 48, 1521-1532 (1987).

- 24 "A new study of the structure of LaNi₅D_6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data" C. LARTIGUE, A. LE BAIL and A. PERCHERON-GUEGAN, J. of the Less-Common Metals 129, 65-76 (1987).

- 23 "Local environment of Zr in baryum fluorozirconate glasses : the EXAFS point of view" B. BOULARD, A. LE BAIL, J.P. LAVAL et C. JACOBONI, J. de Physique, Colloque C8, 47, 791-794 (1986).

- 22 "Local environment of tungsten in mixed valence tungsten phosphate glasses : an EXAFS study" F. STUDER, A. LE BAIL and B. RAVEAU, J. Solid State Chem. 63, 414-423 (1986).

- 21 "EXAFS of mixed valence iron potassium phosphate glasses" F. STUDER and A. LE BAIL, J. de Physique, Colloque C8, 47 , 781-785 (1986).

- 20 "A re-investigation of the room-temperature phase of KAlF₄: evidence of antiphase domains" A. GIBAUD, A. LE BAIL and A. BULOU, J. Phys. C: Solid State Phys. 19, 4623-4633 (1986).

- 19 "Fluorocomplexes of Niobium IV. Part V : the magnetic structure of MnNbF₆" D. BIZOT, J. CHASSAING, J. PANNETIER, M. LEBLANC, A. LE BAIL, G. FEREY, Solid State Commun. 58, 71-74 (1986).

- 18 "Etude EXAFS de la structure pyrochlore type RbNiCrF₆" A. LE BAIL, C. JACOBONI et R. DE PAPE, J. Solid State Chem. 61, 188-196 (1986).

- 17 "Analyse globale des spectres de diffraction des matériaux mal cristallisés". A. LE BAIL, Comptes Rendus- 10ème Colloque Siemens sur les Rayons X, 45-58, Grenoble (1985).

- 16 "Synthesis, characterization and crystallization of the amorphous iron(III) fluoride : FeF₃, xHF (0,4 < x < 1)" M. LEBLANC, G. FEREY, J.M. GRENECHE, A. LE BAIL, F. VARRET, R. DE PAPE et J. PANNETIER., J. de Physique, colloque C8, 46, 175-179 (1985).

- 15 "Partial structure factors of fluoride glasses "Pb₂Mt^IIMt^IIIF₉ " by neutron diffraction" A. LE BAIL, C. JACOBONI et R. DE PAPE, J. Non Crystalline Solids 74, 213-221 (1985).

- 14 "Neutron magnetic diffraction study of fluoride "Pb₂MnFeF₉" spin glass diluted by diamagnetic ions" A. LE BAIL, C. JACOBONI et R. DE PAPE, J. Non Crystalline Solids 74, 205-212 (1985).

- 13 "Correlations between magnetic and crystallochemical behaviour in 3d-U⁴⁺ fluoride glasses " G. COURBION, J. GUERY, A. LE BAIL et C. JACOBONI, Materials Science Forum Vol. 6, 739-742 (1985).

- 12 "Actual knowledge of 3d transition metal fluoride glasses structure " A. LE BAIL, C. JACOBONI et R. DE PAPE, Materials Science Forum Vol. 6, 441-448 (1985).

- 11 "Refining structural models for glasses: is it possible ? The case of 'Pb₂M₂F₉' A. LE BAIL, C. JACOBONI et R. DE PAPE, J. de Physique, Colloque C8, 46, 163-168 (1985).

- 10 "Comparaison de Procédures d'Evaluation des distorsions et de la taille des cristallites par analyse des raies de diffraction des rayons X" D. LOUER, R. COUPE et A. LE BAIL, J. Appl. Cryst. 17, 131-133 (1984).

- 9 "Ordre local dans quelques verres fluorés du système PbF₂-M^IIF₂-M^IIIF₃ par E.X.A.F.S. " A. LE BAIL, C. JACOBONI et R. DE PAPE, J. Solid State Chem. 52, 32-44 (1984).

- 8 "Physical properties and structure approach of the 3d transition metal fluoride glasses PbF₂-MF₂-MF₃". C. JACOBONI, A. LE BAIL, R. DE PAPE et J.P. RENARD, Stud. Inorg. Chem. 3, 687-690 (1983).

- 7 "Fluoride glasses of 3d transition metals". C. JACOBONI, A. LE BAIL et R. DE PAPE, Glass Technology 24, 164-167 (1983).

- 6 "Ordre antiferromagnétique dans les verres fluorés PbMnFeF₇ et Pb₂MnFeF₉". A. LE BAIL, C. JACOBONI et R. DE PAPE, J. Solid State Chem. 48, 168-175 (1983).

- 5 "Short range antiferromagnetic ordering in fluoride glasses PbMnFeF₇ and Pb₂MnFeF₉". A. LE BAIL, C. JACOBONI and R. DE PAPE, J. De Physique C9, 677-680 (1982).

- 4 "Etude par diffraction des rayons X de la transformation d'un hydroxynitrate de nickel non stoechiometrique en hydroxyde". A. LE BAIL et D. LOUER, Rev. Chim. Miner. 17, 522 (1980).

- 3 "Smoothing and validity of crystallite-size distributions from X-ray line-profile analysis". A. LE BAIL et D. LOUER, J. Appl. Cryst. 11, 50-55 (1978).

- 2 "Crystallite-size distributions from X-ray line profile analysis : smoothing, validity and application to a chemical reaction". A. LE BAIL et D. LOUER, Proc. Conf. on Applied Crystallography, Kozubnik (Poland), 477-490 (1978)

- 1 "Détermination directe des coefficients de Fourier lors de l'analyse des profils de raies de diffraction des rayons X". A. LE BAIL et D. LOUER, Bull. Soc. Fr. Miner. Cristallographie 99, 211-215 (1976).

Publications Electroniques

voir l'équivalent électronique de cette page, avec liens hypertextes à l'URL http://www.cristal.org/new.html

Ces "publications" sont tournées vers l'international, elles sont donc en anglais pour la plupart. Il s'agit ci-dessous de la liste des nouveautés ajoutées au site Web, année après année. On y trouve des didacticiels, des posters, des conférences complètes (texte et transparents), des logiciels avec manuel d'utilisation, de vrais publications dans des journaux purement électroniques, avec referees, des bases de données avec moteur de recherche par mots-clés, des compte-rendus de contribution à des Round Robin en cristallographie.

2000

· Contributions to the chemistry preprints server http://preprint.chemweb.com/

· Liste de discussion : REcherche SCIentifique Française (RESCIF)

· A new tutorial for speeding up ESPOIR use

· Contribution to the Size/Strain Round Robin with program ARIT

· K-alpha : believe your eyes or trust mathematics

· Contributions to EPDIC-7, Barcelona, 20-23 May 2000 : poster 1 (or preprint) and poster 2 (or preprint)

· ESPOIR 3.50 now driven by a Windows GUI. It can locate up to 6 independent molecules by Monte Carlo from powder diffraction data. Torsion angles are automatically located and possibly varied (recent developments sponsored by the DuPont Company) – GNU Public License

· Contributions to the Sixth International School and Workshop of Crystallography, 22-27 January 2000, Ismailia, Egypt : conference 1 and conference 2

1999

· CrySoCoM : Crystallography Source Code Museum

· PowBase : a free-access database of raw powder patterns

· SDPD Internet Course : learn to determine a crystal structure from powder diffraction data

· Webcam of the University of Maine, Sciences Faculty

· Contributions to IUCr XVIIIth, Glasgow, Scotland : Workshop on structure solution from powder data, computer Fayre, and poster

· Contribution to the Kunming (China) workshop on structure determination and refinement from powder data

· In french : Succès-échecs, des dossiers gagnants, ou perdants, ou même gagnants-perdants ! N'hésitez plus à contribuer.

· New Reverse Monte Carlo code for ab initio structure determination from powder diffraction data : ESPOIR 0.9 and then ESPOIR 1.0, and now ESPOIR 2.0 allowing molecule location

· Personal research report for 1995-99 as MS Word 97 .doc files, zipped, in french, of course

· Birth of the SDPD Mailing List

· Authors versus number of Rietveld-refined structures in ICSD and the sub-populations working with neutrons, conventional X-ray and synchrotron radiation

· Authors versus number of structures in ICSD (first 1000, or all)

· This Web site mirrored in Australia

1998

· The Rietveld Mailing List archives are partly available, searchable by keywords

· Discuss about Structure Determination by Powder Diffractometry using the SDPD Forum

· In french : Comment mettre en ligne une petite base de données

· Search among the Fluoride Lab's ~600 publications

· New web site created in the USA

· Contribution to the First International Conference on Inorganic Materials, Versailles

· Contribution to ECSOC-2

· Preliminary report on the SDPD Round Robin at ECM-18, Prague

· Contribution to ECM-18, Prague

· Contribution to the 47th Annual Denver X-ray Conference, Colorado Springs

· Structure Determination by Powder Diffractometry Round Robin (SDPDRR)

· ARIT is available (very old and obsolete Rietveld method software)

· This site mirrored in England

· The Researcher's Breviary : an automatic translation from an hilarious french document, using Altavista ! No correction from the raw translation, expecting it to be more fun (?-)

· HKLGEN : Win95 software for [hkl, d(hkl), 2-theta] generation from cell parameters and space group

· Search the whole site by keywords with Altavista-like user interface

· ARRED : Academic Research Rare Expert Directory, add yourself if you expect external collaboration

1997

· Are you listed by ISI among the 10858 most cited chemists ? See also the most cited french chemists or search by author name. Finally, try the 1120 most cited physicists

· NOCHAOS : Win 95 software building quickly configuration files for Reverse Monte Carlo Modelling

· RMCAW95 : Win 95 executables of RMCA, RANDOM, MOVEOUT and CRYSTAL

· Contribution to ACA'97, StLouis

· GLASSVIR : Win 95 software creating VRML files of RMCA output for 3D visualization

· Contribution to the RMC Modelling Internet Conference 1997

· Jeu des caricatures (in french)

· Tutorial for Ab initio structure determination from powder diffraction data

· t-AlF₃, molecule of the month

· TREOR, ITO13 and DICVOL for Win95, with possible zeropoint correction

· ERACEL : Win95 software refining cell parameters

1996

· STRUVIR : Win 95 software creating VRML files for crystal structure 3D visualization

· VRML and crystallography

· Contribution to IUCr XVII, Seattle, 1996

· 6-connected 3D nets

· Université du Maine virtuelle (in french)

· Rapport d'activités (in french)

· SHELX76 for Win95

· libi77.lib and libf77.lib compiled for using f2c under Win95 with MSVC++2.0

1995

· ARITVE : Win95 software for amorphous structure modelling based on the Rietveld method

· SDPD-D : Structure Determination from Powder Diffraction - Database

· OVERLAP : Win95 software selecting reflections during a SDPD

· ICDD and Rietveld method

1994

· Powder diffractometers and Rietveld method

· Bréviaire du chercheur (in french)

Communications - Posters

-1. 6éme Colloque Annuel du Groupe Français de Croissance Cristalline (1977) "Détermination des fonctions de répartition de taille des cristallites à partir du profil des raies de diffraction des rayons X. Croissance des cristallites d'hydroxyde de nickel

provenant de la transformation d'un hydroxynitrate."

-2. Conference on Applied Crystallography - Kozubnik - Pologne (1978) "Crystallite-size distributions from X-ray line profile analysis: smoothing, validity and application to a chemical reaction."

-3. International Symposium: Order-Disorder in Solids - Paris (1978) "X-ray study of the transformation nickel hydroxynitrate into hydroxyde"

-4. 5ème Congrès International de Physique des Solides Non-Cristallins - Montpellier (1982) "Short range antiferromagnetic ordering in fluoride glasses PbMnFeF₇ and PbMnFeF₉."

-5. 2ème Conférence Européenne de Chimie de l'Etat Solide - Eindhoven (1982) "Physical properties and structure approach of the 3d transitions metal fluoride glasses PbF₂-MF₂-MF₃."

-6. Journées de l'Etat Solide - Bordeaux (1984) "Structure des verres fluorés Na₆M(ii)₅M(iii)₉F₄₃ par diffraction des rayons X et des neutrons - séparation de six fonctions de paires partielles"

-7. Workshop on High Resolution Neutron Powder Diffraction - Grenoble (1984) "Fourier analysis in Rietveld method for ideal or imperfect crystallized powder sample".

-8. XIIIème Congrés International de cristallographie - Hambourg (1984) "A quasi-crystalline simulation of Pb₂M(ii)M(iii)F₉ fluoride glass structure"

-9. même congrès:"The Rietveld method using an experimental profile convoluted by adjustable analytical function"

-10. 3ème Int. Conf. on the Structure of Non-Crystalline Materials - Grenoble (1985) "Refining structural models for glasses: is it possible ? The case of "Pb₂M₂F₉"

-11. même congrès: "Synthesis, characterization and crystallization of the amorphous iron (III) fluoride FeF₃,xHF (x<1)"

-12. Progress in X-ray Studies by Synchrotron Radiation - Strasbourg (1985) "Local structure in phosphotungstate glasses by EXAFS at tungsten absorption edge"

-13. même congrès: "Local environment of M in pyrochlores AM₂F₆ by EXAFS

-14. 10ème Colloque sur les Rayons X - Siemens - Grenoble (1985) "Analyse globale des spectres de diffraction des matériaux mal cristallisés"

-15. 3ème International Symposium on Halides Glasses - Rennes (1985) "Actual knowledge of 3d transition metal fluoride glasses structure"

-16 même congrès:"Correlations between magnetic and crystallochemical behaviour in 3d-U⁴⁺ fluoride glasses"

-17. 3rd European Meeting of Solid State Chemistry - Regensburg - RFA (1986) "EXAFS study of some Copper Fluorides"

-18. International Symposium on the Properties and Applications of Metal Hydrides V - Maubuisson - France (1986) "A new study of the structure of LaNi₅D_6.7 using a modified Rietveld method for the refinement of neutron powder data"

-19. EXAFS and Near-Edge Structure IV - Fontevraud - France (1986) "Local environment of Zr in baryum fluorozirconate glasses : the EXAFS point of view"

-20. même congrès: "EXAFS of mixed valence iron potassium phosphate glass."

-21. 4ème International Symposium on Halide Glasses - Monterey - USA (1987) "Structure of baryum fluorozirconate glasses. A quasi crystalline modelization of BaZr2F10 ."

-22. High-Temperature Superconductors and Materials and Mechanisms of Superconductivity - Interlaken - Suisse (1988) "Ordered Pd²⁺-Cu²⁺ substitution in 1.2.3. superconductor : The oxyde YBa₂Cu_2.5Pd_0.5O_x ."

-23. First European Inorganic Chemistry Seminar (Euchem) - Dourdan - France (1988) "Structure and magnetic properties of oxovanadium (IV) hydrogénophosphate hydrates: VO(H_xPO₄)_x.yH₂O ."

-24. IIth International Symposium on the Reactivity of Solids - Princeton - USA (1988) "Synthetic pathways to vanadyl phosphates ".

-25 5éme International Symposium on Halide Glasses - Japon (1988) "Chemical vapour deposition of fluorides. Dynamic simulation of amorphous systems."

-26. ICAME'89 - Budapest "Mossbauer study of a new crystalline fluoride : NaPbFe₂F₉

-27. Workshop on Rietveld Analysis: NERF, Petten, Pays-Bas (1989) "Characterisation of the unusual disordered phase La₂C_0.74O_4.74Li_0.52 by powder diffraction"

-28. M.R.S. Spring Meeting - San Diego - USA (1989) "Crystal structure of some by-products of the synthesis of copper and palladium substituted high Tc superconductors."

-29. 32éme IUPAC Congress - Stockholm (1989) "Structures of oxocuprate(II) vanadate(V) hydrates Cu₃V₂O_8.3H₂O, Cu₃V₂O₈.H₂O and CuV₂O₆(H₂O)₂

-30. Ninth European Symposium on Fluorine Chemistry - Leicester (1989) "Crystal Structure of Li₂TbF₆ and magnetic study under high magnetic field".

-31. International Congress on Powder Diffraction - Toulouse - France (1990) "Crystal structure of Co₃(HPO₄)₂(OH)₂ related to mineral Lazulite solved by X-ray and neutron powder diffraction"

-32. Accuracy in Powder Diffraction II (APD-II), Gaithersburg - USA (1992) "Extracting Structure Factors by Iterating Full Profile Pattern Fitting" (poster)

-33. IVth European Conference on Solid State Chemistry - Dresde (1992) "Crystal Chemistry in Fluoride AMM'₂F₉: Structural and Magnetic Study" (poster)

-34. même congrès: "Structures of New CsAlF₄ Polymorphs" (poster)

-35. même congrès: "Crystal Structure of a new MX₃ Corner-Sharing Octahedra 3D Network" (poster)

-36. Journées de la Division Chimie du Solide (SFC), Paris, 4-6 Septembre 1996. "Réseaux Tridimensionnels 6-Connectés".

Poster en ligne à : http://www.cristal.org/vrml/6c3d/6c3dnets.html

-37. First International Conference on Inorganic materials - Versailles - France (Septembre 1998). "Comparing RMC and RDM glass structure modelling methods".

Poster en ligne à : http://www.cristal.org/glasses/versailles/poster.html

-38. XVIIIth IUCr Congress & General Assembly, 4^th-13^th August 1999, Glasgow, Scotland . “Does conventional powder diffraction beat a synchrotron ?”.

Poster en ligne à : http://www.cristal.org/glasgow/poster/glasgowposter.html

-39. EPDIC-7 – 7th European Powder Diffraction Conference – Barcelona, 20-23 May 2000. “ESPOIR : A Program for Solving Structures by Monte Carlo from Powder Diffraction Data.”

Poster en ligne à : http://www.cristal.org/epdic-7/poster1/index.html

-40. EPDIC-7 – 7th European Powder Diffraction Conference – Barcelona, 20-23 May 2000. “Structure Determination by Powder Diffractometry : Internet Course.”

Poster en ligne à : http://www.cristal.org/epdic-7/poster2/index.html

Conférences invitées

1 - L.U.R.E. - ORSAY (10.03.1986).

"Imperfections cristallines et méthode de RIETVELD: possibilités actuelles"

2 - GALERNE 1986 - CAEN (29/09-03/10/1986).

"Analyse globale des spectres de diffraction de composés mal cristallisés"

3 - UNIVERSITE DE VALENCE (ESPAGNE) - Juillet 1988.

"Ab initio crystal structure determination from powder diffraction data."

4 - UNIVERSITE DE VALENCE (ESPAGNE) - Avril 1990.

"Twinning and superstructures: some recent examples of structure solution from X-Ray diffraction".

5 - CONGRES INTERNATIONAL "POWDER DIFFRACTION", 16-19 Juillet 1990, TOULOUSE.

"The practice of structure determination from powder data: how to succeed".

6 - CONGRES INTERNATIONAL "ACCURACY IN POWDER DIFFRACTION II" (APD-II), 26-29 Mai 1992, Gaithersburg, USA.

"Modelling Anisotropic Size/Microstrain in Rietveld Analysis".

7 - CONGRES INTERNATIONAL "SIZE - STRAIN'95", Août 1995, Slovaquie.

"Accounting for Size/Microstrain in Whole Powder Pattern Fitting".

8 - XVII Congress and General Assembly of the International Union of Crystallography, August 8-17, 1996, Seattle, USA."VRML as a tool for exploring complex structures".

Conférence en ligne à : http://www.cristal.org/vrml/seattle/seattle.html

9 - ACA'97, July 19-25, 1997, St. Louis, Missouri, USA. "Standard and special strategies in structure determination from powder data".

Conférence en ligne à : http://www.cristal.org/iniref/aca97/aca97.html

10- 47th Annual Denver X-ray Conference, August 3-7, 1998, Colorado Springs, Colorado, USA. "New Developments in Microstructure Analysis via Rietveld Refinement".

Conférence en ligne à : http://www.cristal.org/microstruct/denver/index.html

11- ECM-18, August 15-20, 1998, Prague, République Tchèque. "Trends in Structure Determination by Powder Diffractometry".

Conférence en ligne à : http://www.cristal.org/iniref/ecm18/ecm18.html

12 - Kunming IUCr Workshop, China, July 1999. “Structure Determination by Powder Diffractometry”.

Conférence en ligne à : http://sdpd.univ-lemans.fr/kunming/index.html

13 - XVIIIth IUCr Congress & General Assembly, 4^th-13^th August 1999, Glasgow, Scotland . Structure Solution from Powder Diffraction Data Workshop. “The Practice of "|Fobs|" Extraction from Powder Diffraction Data”.

Conférence en ligne à : http://www.cristal.org/glasgow/index.html

14 – Sixth International School and Workshop of Crystallography, 22-27 January 2000, Ismailia, Egypt. “Combining the Reverse Monte Carlo and the Rietveld Methods for Amorphous Materials Structure Modelling”.

Conférence en ligne à : http://www.cristal.org/egypte/conf1/index.html

15 – Sixth International School and Workshop of Crystallography, 22-27 January 2000, Ismailia, Egypt. “Advances in Microstructure Analysis by the Rietveld Method”.

Conférence en ligne à : http://www.cristal.org/egypte/conf2/index.html