Synthesis, ab initio structure determination from powder diffraction and spectroscopic properties of a new diuranium oxide phosphate,
P. Benard, D. Louer, N. Dacheux, V. Brandel & M. Genet,
Anales de Quimica 92 (1996) 79-87.
U2O(PO4)2, Cmca, C1=6, Nc=11, C2=1, XC1+N/
DICVOL91, FULLPROF, EQUI, SHELXS-86 (PATT), SHELXL93, FULLPROF

Crystal structure of a porous zirconium phosphate/phosphonate compound and photocatalytic hydrogen production from related materials
Byrd H. Clearfield A. Poojary D. Reis KP. Thompson ME.
Chem. Mater. 8 (1996) 2239-2246.
Zr-2(PO4)(O3PCH2CH2(viologen)CH2CH2PO3)X(3) . 3H(2)O, X = halide, P2/c, C1=20, Nc=60, C2=2, XC12+Sync/
ITO, Rudolf & Clearfield, PART, TEXSAN (PATT), ?, GSAS

Synthesis, structure ans characterization of uranium(IV) phenyl phosphonate, U(O3PC6H5)2, and uranium(IV) pyro phosphate, UP2O7,
A. Cabeza, M.A.G. Aranda, F.M. Cantero, D. Lozano, M. Martinez-Lara & S. Bruque,
J. Solid State Chem. 121 (1996) 181-189.
U(O3PC6H5)2, C2/m, C1=12, Nc=7 (+ 17 with constraints),C2=1, XC12/
LATTPARM, GSAS, PART, SHELXS-86 (PATT), GSAS, GSAS

Ab initio powder structure determination and thermal behavior of a new lead(II) phenylphosphonate, Pb(O3PC6H5)
Cabeza A. Aranda MAG. Martinezlara M. Bruque S. Sanz J.
Acta Crystallographica - Section B, Structural Science. 52(1996) 982-988.
Pb(O3PC6H5), P-1, C1=22, Nc=66,C2=2, XC12 /
TREOR + DICVOL, GSAS, EQUI, SHELXS86 (DM), ?, GSAS

Synthesis and structure of a new perovskite, SrCuO2.5,
B.-H. Chen, D. Walker, B.A. Scott & D.B. Mitzi,
J. Solid State Chem. 121 (1996) 498-501.
SrCuO2.5, Pbam, C1=5, Nc=8, C2=guessed, XC12/
?, ..guessed.., FULLPROF

Syntheses, Crystal Structures, and Ion-Exchange Properties of Porous Titanosilicates, HM3Ti4O4(SiO4)3*4H2O (M = H+, Cs+), Structural Analogues of the Mineral Pharmacosiderite,
A. Clearfield, E.A. Behrens & D.M. Poojary,
Chemistry of materials 8 (1996) 1333-1340
HM3Ti4O4(SiO4)3*4H2O
C- W.T.A. Harrison, T.E. Gier & G.D. Stucky, Zeolites, 15 (1995) 408.

Synthesis and X-ray Powder Structures of Covalently Pillared Lamellar Zinc Bis(phosphonates),
A. Clearfield, D.M. Poojary & B. Zhang,
Inorganic chemistry. 35 (1996) 5254-5263.
Zn2[(O3PC6H4PO3)(H2O)2], P-1, C1=7, Nc=16, C2=2, XC12 /
ITO, MLE, PART, TEXSAN (PATT), TEXSAN, GSAS
Zn[HO3P(C6H4)2PO3H], P-1, C1=21, Nc=63, C2=3, XC12 /
ITO, MLE, PART,  TEXSAN (PATT), TEXSAN, GSAS

Structures and phase transition of Bi2CdO2[GeO4],
R.E. Dinnebier, P.W. Stephens, S. Wies &W. Eysel,
J. Solid State Chem. 123 (1996) 371-377.
Bi2CdO2[GeO4], Pbcn, C1=6 , Nc=14, C2=3, Sync/
?, FULLPROF, EQUI, SIRPOW.92 (DM), GSAS, GSAS

Crystal structure and possible charge ordering in one-dimensional Ca3Co2O6,
H. Fjellvag, E. Gulbrandsen, S. Aasland, A. Olsen & B.C. Hauback,
J. Solid State Chem. 124 (1996) 190-194.
Ca3Co2O6, R-3c, C1=4 , Nc=4 , C2=4 , XC1+N/
TREOR, ALLHKL, EQUI, SIRPOW (DM), ?, DBW3.2S

Structure determination of two polymorphic phases of La(NO3)3.4H2O from X-ray powder diffraction,
A.-E. Gobichon, M. Louer, J.P. Auffredic and D. Louer,
J. Solid State Chem. 126 (1996) 127-134.
alpha-La(NO3)3.4H2O, P21/m, C1=11, Nc=28, C2=1, XC1 /
DICVOL91, FULLPROF, EQUI, SHELX-S (PATT), SHELXL-93, FULLPROF

X-Form metal-free phthalocyanine: crystal structure determination using a combination of high-resolution X-ray powder diffraction and molecular modelling techniques,
R.R. Hammond, K.J. Roberts, R. Docherty, M. edmondson & R. Gairns,
J. Chem. Soc. Perkin Trans. 2 (1996) 1527-1528.
X-form metal-free phthalocyanine, P21/a, C1=?, Nc= ?, C3=1 (MM), SYNC /
DICVOL + ITO, Molecular Model by MOPAC + orientation search by rotation (729000 trials), DBWS

Copper(II)-hydroxo-oxoruthenate(VI): CuRuO2(OH)4 - Ab initio structure determination by X-ray powder diffraction,
Th. Hansen,
Materials Science Forum Vols. 228-231 (1996) 723-728.
CuRuO2(OH)4, Cmmm, C1=4, Nc=4,C2=1, XC12 /
TREOR, FULLPROF, EQUI, SHELXS-86 (DM), SHELXL-93, FULLPROF

Synthesis and structure determination of BaHg2O2Cl2 by powder X-ray diffraction,
W.T.A. Harrison, L.M. Liu & A.J. Jacobson,
Angew. Chem. Int. Ed. Engl. 35 (1996) 625-627.
BaHg2O2Cl2, P4/mbm, C1=6, Nc=6, C2=4, XC12 /
TREOR, GSAS (?), EQUI, SIRPOW (DM), GSAS, GSAS

The ab initio crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction,
R.M. Ibberson & M. Prager,
Acta crystallogr. B52 (1996) 892-895.
CDF3, P21/n, C1=5, N2=15, C2=5, N /
ITO, CAILS (?) Bayesian, EQUI, MITHRIL (DM), , TF12LS (?)

Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone,
H.R. Karfunkel, Z.J. Wu, A. Burkhard, G. Rihs, D. Sinnreich, H.M. Buerger & J. Stanek,
Acta Crystallogr. B52 (1996) 555-561.
C11H14N6, P-1, C1=31, Nc=93 (rigid body), C3=1, XC1 /
TREOR, ...Crystal Packing..., DBW

Crystal structure solution from powder X-ray diffraction data - The development of Monte Carlo methods to solve the crystal structure of the Gamme-phase of 3-chloro-trans-cinnamic acid,
B.M. Kariuki, D.M.S. Zin, M. Tremayne & K.D.M Harris,
Chemistry of Materials 8 (1996) 565-569.
gamma-3-ClC6H4CHCHCO2H, P21/a, C1=12, Nc=36, C3=1 (MC), XC1/
ITO, MC..., GSAS

Structure and isomerization in diamminedichloropalladium(II)
Kirik SD. Solovyov LA. Blokhin AI. Yakimov IS. Blokhina ML.
Acta Crystallographica - Section B, Structural Science. 52(1996) 909-916.
cis-[Pd(NH3)(2)Cl-2], P1
trans-[Pd(NH3)(2)Cl-2], P-1
beta-trans-[Pd(NH3)(2)Cl-2], Pbca
See also Structure transformation in diamine-dichloro-Palladium (II) studied by X-ray powder diffraction,
L.A. Solovyov, S.D. Kirik, I.S. Yakimov, M.L. Blokhina & A.I. Blokhin,
Materials Science Forum Vols. 228-231 (1996) 705-710.

Ab-initio X-ray powder diffraction structural characterization of coordination compounds - polymeric [(MX2(bipy))n] complexes (M=Ni or Cu - X=Cl or Br - bipy=4,4'-bipyridyl),
N. Masciocchi, P. Cairati, L. Carlucci, G. Mezza, G. Ciani & A. Sironi,
J. Chem. Soc. Dalton Trans. 13 (1996) 2739-2746.
[(NiCl2(Bipy))n], Cmmm, C1=6, Nc=7, C2=2, XC12/
TREOR, ALLHKL, PART, SIRPOW, SIRPOW, GSAS

Synthesis optimization and structure analysis of the zincosilicate molecular sieve VPI-9,
Mccusker LB. Grossekunstleve RW. Baerlocher C. Yoshikawa M. Davis ME.
Microporous Materials. 6(1996) 295-309.
(Rb44K4[Si96Zn24O240]. 48H(2)O), VPI-9, P42/ncm, C1=59, Nc=170, Sync / FOCUS

Low temperature crystal structures of globular organic molecules,
A.J. Mora & A.N. Fitch,
Materials Science Forum Vols. 228-231 (1996) 863-868.
a) 3-azabicyclo[3.2.2.]nonane, Aba2, C1=9, Nc=, C2=9, Sync/
FZON, MPROFIL, EQUI, SHELXS-86+SIRPOW (DM), ?, PROFIL
b) bicyclo[3.3.1.]nonan-9-one, P21/n, ?, ?, ?, Sync /
FZON, MPROFIL, EQUI, SHELXS-86+SIRPOW (DM), ?, PROFIL

Structural Determination of (CH3)2SBr2 using the Swiss-Norwegian beam line at ESRF,
A.J. Mora, A.N. Fitch, P.N. Gates & A. Finch,
Materials Science Forum Vols. 228-231 (1996) 601-606.
(CH3)2SBr2, P21/a, ?, ?, ?, Sync /
FZON, MPROFIL5, EQUI, SHELXS-86 (DM), ?, PROFIL

Structure determination of a complex tubular uranyl phenylphosphonate, (UO2)3(HO3PC6H5)2(O3PC6H5)2.H2O, from conventional X-ray powder diffraction data,
D.M. Poojary, A. Cabeza, M.A.G. Aranda, S. Bruque & A. Clearfield,
Inorg. Chem. 35 (1996) 1468-1473.
(UO2)3(HO3PC6H5)2(O3PC6H5)2.H2O, P212121, C1=50, Nc=150, C2=11, XC12/
ITO, GSAS, EQUI, TEXSAN, MITHRIL (DM), GSAS, GSAS

Synthesis and X-ray Powder Structures of Two Lamellar Copper Arylenebis(phosphonates),
D.M. Poojary, B. Zhang, P. Bellinghausen & A. Clearfield,
Inorg Chem. 35 (1996) 4942-4949.
Cu2[O3PC6H4PO3].2H2O, C2/c, C1=9, Nc= 27, C2=1, XC12/
ITO, MLE, PART, TEXSAN (PATT), ?, GSAS
Cu[HO3P(C6H4)2PO3H], P-1, C1=11, Nc=30, C2=2, XC12/
ITO, MLE, PART, TEXSAN (PATT), ?, GSAS

Synthesis and X-ray Powder Structures of Covalently Pillared Lamellar Zinc Bis(phosphonates),
D.M. Poojary, B. Zhang, P. Bellinghausen & A. Clearfield,
Inorg Chem. 35 (1996) 5254-5263.
Zn2[O3PC6H4PO3].2H2O, Pnnm, C1=7, Nc= 16, C2=2, XC12/
ITO, MLE, PART, TEXSAN (PATT), ?, GSAS
Zn[HO3P(C6H4)2PO3H], P-1, C1=21, Nc=63, C2=3, XC12/
ITO, MLE, PART, TEXSAN (PATT), ?, GSAS

Ab initio crystal structure solution of the novel intermetallic compound Nd3(Fe,Ti)29,
V. Psycharis, O. Kalogirou, D. Niarchos & M. Gjoka,
J. Alloys & Compounds 234 (1996) 62-66.
Nd3(Fe,Ti)29, A2/m, C1=17, Nc=, C2=,X/
,,,PATT,,

Structure determination of zeta-Fe2N by neutron and synchrotron powder diffraction,
D. Rechenbach & H. Jacobs,
J. Alloys & Compounds 235 (1996) 15-22
zeta-Fe2N, Pbcn, C1=2, Nc=4, C2=structure previously suggested, Sync+N/
?, , , , FULLPROF+PROFIL

Synthesis and structure of a layered titanosilicate catalyst with five-coordinate titanium,
M.A. Roberts, G. Sankar, J.M. Thomas, R.H. Jones, H. Du, J. Chen, W. Pang & R. Xu,
Nature 381 (1996) 401-404.
Na4Ti2Si8O22.4H2O,

PHASE TRANSITIONS IN 2-BROMONAPHTHALENE - THE STRUCTURE OF THE LOW TEMPERATURE PHASE FROM X-RAY POWDER DIFFRACTION
Sane J. Rius J. Louer D. Chanh NB.
Journal of Physics & Chemistry of Solids. 57(1996) 1251-1257.
2-bromonaphthalene C10H7Br, P-1

Ab initio structure solution of a novel aluminium methylphosphonate from laboratory X-ray powder diffraction data,
L.J. Sawers, V.J. Carter, A.R. Armstrong, P.G. Bruce, P.A. Wright & B.E. Gore,
J. Chem. Soc. Dalton Trans. 14 (1996) 3159-3161.
[Al(OH)PO3Me.H2O], P21/a, C1=14?, Nc=42?, C2=5, XC1/
ITO, GSAS, EQUI, SIRPOW (DM) +INSIGHT, GSAS, GSAS

InCaBr3, an electron absorbent layered material containing univalent indium,
M. Scholten & R. Dronskowski
C.R. Acad Sci. Paris, 322(IIb) (1998) 699-706.
InCaBr3, Cmcm, C1=4; Nc=4, C2=4, XC1 /
ITO, ALLHKL, EQUI, SIRPOW92 (DM), ?, DBW

Powder-diffraction solutions of the crystal structure of [Pd(NH3)4]C2O4,
L.A. Solovyov, M.L. Blochina, S.D. Kirik, A.I. Blochin & M.G. Derikova,
Powder Diffraction 11 (1996) 13-16.
[Pd(NH3)4]C2O4, P-1, C1=6, NC=15, C2=6, XC12/
ITO+?, LBM?, ?, ?(PATT), ?, DBW-9006

Structure transformation in diamine-dichloro-Palladium (II) studied by X-ray powder diffraction,
L.A. Solovyov, S.D. Kirik, I.S. Yakimov, M.L. Blokhina & A.I. Blokhin,
Materials Science Forum Vols. 228-231 (1996) 705-710.
a) cis-[Pd(NH3)2Cl2], P1, C1=5, Nc=12, C2=5, XC12 /
ITO+?, LBM?, ?, ?(PATT), ?, DBW-9006
b) trans-[Pd(NH3)2Cl2], P-1, C1=8, Nc=13, C2=8, XC12 /
ITO+?, LBM?, ?, ?(PATT), ?, DBW-9006
c) beta-trans-[Pd(NH3)2Cl2], Pbca, C1=3, Nc=6, C2=3, XC12 /
ITO+ ?, LBM?, ?, ?(PATT), ?, DBW-9006
See also Structure and isomerization in diamminedichloropalladium(II)
Kirik SD. Solovyov LA. Blokhin AI. Yakimov IS. Blokhina ML.
Acta Crystallographica - Section B, Structural Science. 52(1996) 909-916.

Synthesis and ab initio structure determination from powder X-ray diffraction data of a new metallic mixed-valence platinum-lead oxide PbPt2O4,
N. Tancret, S. Obbade, N. Bettahar & F. Abraham,
J. Solid State Chem. 124 (1996) 309-318.
PbPt2O4, P-1, C1=9, Nc=12, C2=5, XC12/
TREOR, FULLPROF, EQUI, SHELXS-86 (DM), ?, FULLPROF

Synthesis and characterization of two new ordered crystalline phases close to ThF4-ZrF4 fluoride glasses. II- Crystal structure of ThZr2F12,
A.Taoudi, A. Mikou & J.-P. Laval,
Eur. J. Solid State Inorg. Chem. 33 (1996) 1051-1062.
ThZr2F12, I2/m, C1=12, Nc=22, C2=3, XC12/
TREOR, FULLPROF, EQUI, SHELXS-86 (DM), ?, FULLPROF

The development of Monte Carlo methods for crystal structure solution from powder diffraction data - Simultaneous translation and rotation of a structural fragment within the unit cell,
M. Tremayne, B.M. Kariuki & K.D.M. Harris,
J. Appl. Cryst. 29 (1996) 211-214.
p-methoxybenzoic acid, , , , / ... Monte Carlo...Previously known in fact

Solution of an organic crystal structure from X-ray powder diffraction data by a generalized rigid-body Monte Carlo method: crystal structure determination of 1-methylfluorene,
M. Tremayne, B.M. Kariuki & K.D.M. Harris,
J. Materials Chemistry 6 (1996) 1601-1604.
1-methylfluorene, P21/n, C1=14, Nc=52, C2=13, XC1/
TREOR, Monte Carlo on non-H atoms with geometrical constraint, GSAS

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Armel Le Bail