The ab initio structure determination of [(CH3)4N]2Ge4MnS10 from X-ray powder diffraction data,
O. Achak, J.Y. Pivan, M. Maunaye, M. Louër & D. Louër,
J. Alloys & Compounds 219 (1995) 111-115.
[(CH3)4N]2Ge4MnS10, I-4, C1=9, Nc=16, C2=5, XC1 /
DICVOL91, FULLP, EQUI, SHELXS-86 (DM), ?, FULLP

Preparation and crystal structure of the deficient perovskite LaNiO2.5, solved from neutron diffraction data,
J.A. Alonso & M.-J. Martinez-lope,
J. Chem. Soc. Dalton Trans. (1995) 2819-2824.
LaNiO2.5, P21/n, C1=11, Nc=17, C2=Guessed, N/
TREOR, FULLP, ...Guessed...., FULLP

Zirconium tungstate,
M. Auray, M. Quarton & M. Leblanc,
Acta Cryst. C51 (1995) 2210-2213.
Zr(WO4)2, P2₁3, C1=7, Nc=11, C2=7, XC12+N /
KNOWN, ?, PART, ? (PATT), ?, ?

The layer structure of Zr(OH)3NO3 determined ab initio using conventional monochromatic X-ray powder diffraction,
P. Bénard & D. Louër,
J. Phys. Chem. Solids 56 (1995) 1345-1352.
Zr(OH)3NO3, C2/m, C1=7, Nc=15, C2=6, XC1 /
DICVOL91, FULLP, EQUI, MULTAN (DM), Mol, FULLP

The crystal structure of room-temperature synthesised orthorhombic TlCu4Se3 from direct methods on X-ray powder data,
R. Berger, L.-E. Tergenius, L. Norén & L. Eriksson,
J. Alloys & Compounds 224 (1995) 171-176.
TlCu4Se3, Pnnm, C1=8, Nc=16, C2=?, XC1 /
?, ?, ?, SIRPOW92 (DM), ?, LHPM1

A new layered structure based on perovskite in the SrO-La2O3-TiO2 system,
M.E. Bowden, D.A. Jefferson & I.W.M. Brown,
J. Solid State Chem. 119 (1995) 412-419.
Sr3La2Ti2O10, P21/m, C1=15, Nc=16, C2= , XC12 /
ED, ... Guessed by ED ..., RIET7

Direct methods structure determination from synchrotron powder diffraction data of a new clathrasil, TMA silicate,
R.W. Broach, N.K. McGuire, C.C. Chao & R.M. Kirchner,
J. Phys. Chem. Solids 56 (1995) 1363-1368.
[(CH3)4NOH]4Si34.4Al1.6O72, C2/m, C1=20, Nc=50, C2=en, SYNC /
TREOR, BNLFIT, EQUI, SHELXTL(DM), ?, GSAS

The structure of azomethine block copolymers from X-ray powder diffraction data,
S. Brückner, S. Destri & W. Porzio,
Macromol. Rapid Commun. 16 (1995) 297-303.
T3B2, ......., XC12 / ....MB, INSIGHT-II....

Evolutionary programming techniques for predicting inorganic crystal structures
T.S. Bush, C.R.A. Catlow and P.D. Battle,
J. Mater. Chem. 5 (1995) 1269-1272.
Li3RuO4, P2/a, C1=6, Nc=10, C2=16 (in P1 space group), XC1(2?) /
TREOR,...GASPP + GULP (general purpose structure prediction program by genetic algorithm + Born model lattice energy minimization), GSAS

NaBi2Sb3O11 : an ordered structure related to the cubic Ksb03 type,
J.-C. Champarnaud-Mesjard, B. Frit, A. Aftati & M. El Farissi,
Eur. J. Solid State Inorg. Chem. 32 (1995) 493-504.
NaBi2Sb3O11, Pn-3, C1=6, Nc=7, C2=1, XC1 /
DICVOL90, FULLP, EQUI, SHELXS-86 (DM), ?, FULLP

Structure determination from powder X-ray diffraction data of a hydrogen-bonded molecular solid with competing ferromagnetic and antiferromagnetic interactions. The 2-(3,4-dihydroxyphenyl)-alpha- nitronyl nitroxide radical,
J. Cirujeda, L.E. Ochando, J.M. Amigo, C. Rovira, J. Rius, J. Veciana,
Angew. Chem., Int. Ed. Engl. 34 (1995) 55-57.
C13H17N2O4, P21/a, C1=19, Nc=57, C2=MB, XC1 /
TREOR, PD, PART, ROTSEARCH, SHELX76, RIBOLS

X-Ray powder diffraction structure of triclinic C60Br24(Br2)2,
R.E. Dinnebier, P.W. Stephens, J.K. Carter, A.N. Lommen, P.A. Heiney, A.R. McGhie, L. Brard and A.B. Smith III,
J. Appl. Cryst. 28 (1995) 327-334.
C60Br24(Br2)2 P-1 C1=14 Nc=42 C2=MB Sync /
ITO, FULLP, PART, MM, WYRIET3, WYRIET3

Synthesis, crystal structure, electronic structure and magnetic properties of In2ThBr6,
R. Dronskowski,
Inorg. Chem. 34 (1995) 4991-4995.
In2ThBr6, C2/c, C1=5, Nc=13, C2=5, XC1 /
ITO, ALLHKL, EQUI, SIRPOW92 (DM), , DBW9006

Structure of Zr2(WO4)(PO4)2 from powder X-ray data, cation ordering with no superstructure,
J.S.O Evans, T.A. Mary & A.W. Sleight,
J. Solid State Chem. 120 (1995) 101-104.
Zr2(WO4)(PO4)2, Pnca, C1=9, Nc=25, C2=1, XC12 /
ITO, GSAS, EQUI, SIRPOW92 (DM) +SHELXS-86(PATT), SHELXL93+DLS+GSAS, GSAS

Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data,
H. Gies & G. Rius,
Z. Kristallogr. 210 (1995) 475-480.
[Si32B4O72][N(CH3)4]4, P21/a, C1=28, Nc=84, C1=MB, SYNC+XC1 /
?, EXTRACT+AJUST, PART, ROTSEARCH, SHELX-76+DLS, XRS82

Chemical twinning of the rock salt structure: CaTl2O4 and Ca2Tl2O5, the first two members of the new series CanTl2On+3,
F. Goutenoire, V. Caignaert, M. Hervieu, C. Michel and B. Raveau,
J. Solid State Chem. 114 (1995) 428-434.
CaTl2O4 Cmcm C1=5 Nc=6 C2=1 XC12 /
TREOR4, FULLP, EQUI, ? (PATT), ?, FULLP
Ca2Tl2O5 Cmcm C1=6 Nc=8 C2=2 XC12 /
TREOR4, FULLP, EQUI, ? (PATT), ?, FULLP

The calcium thallate Ca3Tl2O6, third member of the series CanTl2On+3,
F. Goutenoire, V. Caignaert, M. Hervieu, C. Michel and B. Raveau,
J. Solid State Chem. 115 (1995) 508-513.
Ca3Tl2O6, Pbam, C1=12, Nc=20, C2=2, XC12 /
ED, FULLP, EQUI, ? (PATT), ?, FULLP

The calcium thallate Ca3Tl4O9, an intergrowth of the CaTl2O4 and Ca2Tl2O5 structures, member n = 1.5 of the series CanTl2On+3,
F. Goutenoire, V. Caignaert, M. Hervieu & B. Raveau,
J. Solid State Chem. 119 (1995) 134-141.
Ca3Tl4O9, C2/m, C1=9, Nc=14, C2=2, XC1 /
TREOR, FULLP, EQUI, ?(PATT), ?, FULLP

YbAgGa2 : synthesis, crystal structure and magnetic behaviour,
Yu. Grin, M. Ellner, K. Hiebl, B. Baumgartner, P. Rogl,
J. Alloys & Compounds 221 (1995) 125-128.
YbAgGa2, Pnma, C1=4, Nc=8, C2=4, XC1 /
All with the CSD package

Crystal structure of CaCu0.15Ga3.85 - A new variant of the BaAl4 structure type: structure analysis from X-Ray powder diffraction data,
Yu. Grin, M. Ellner, B. Predel and B. Baumgartner,
J. Solid State Chem. 114 (1995), 342-345.
CaCu0.15Ga3.85, C2/m, C1=3, Nc=4, C2=3, XC1 /
All with the CSD package

Preparation and crystal structure of LaAl(Si6-zAlz)N10-zOz,
J. Grins, Z.J. Chen, M. Nygren & T. Ekstrom,
J. Mat. Chem. 5 (1995) 2001-2006.
LaAl(Si6-zAlz)N10-zOz, Pbcn, C1=10, Nc=28, C2=TE, XC12 /
TREOR90, ...Trial and Error... , DBW.2S

Structure and thermal behaviour of Ce(IV) magnesium nitrate hydrates,
N. Guillou, M. Louer, J.-P. Auffredic and D. Louer,
Eur. J. Solid State Inorg. Chem. 32 (1995) 35-47.
CeMg(NO3)6.6H2O, Pa3, C1=7, Nc=15, C2=2, XC1 /
DICVOL91, FULLP, EQUI, Mol (PATT), Mol, FULLP

Determination of the crystal structure of poly-(p-phenylene terephthalate) from powder diffraction data - a computer modelling approach,
S. Hanna, P.D. Coulter & A.H. Windle,
J. Chem. Soc., Faraday Trans. 91 (1995) 2615-2622.
C7H4O2, P21/a, , C1= 13, Nc=manual, C3=1 (MM), XC12 /
Guessed, ...MM...,  Manual refinement

Synthesis and structure approach of barium-oxomercurato(II)-oxoruthenate(VI) BaHgRuO5,
Th. Hansen, A. Le Bail & Y. Laligant,
J. Solid State Chem. 120 (1995) 223-230 [and Materials Sci. Forum Vols. 228-231 (1996) 729-734].
BaHgRuO5, P63/m, C1=8, Nc=14, C2=4, XC12 /
TREOR, FULLP, EQUI, SHELXS-86 (DM), SHELXL-93, FULLP

A powder neutron diffraction determination of the structure of Sr6Co5O15, formerly described as the low-temperature hexagonal form of SrCoO(3-x),
W.T.A. Harrison, S.L. Hegwood & A.J. Jacobson,
J. Chem. Soc. - Series Chem. Comm. 19 (1995) 1953-1954.
Sr6Co5O15, C1=8, Nc=11, C2=5, N/
TREOR, ?, ?, SIRPOW92 (DM), ?, GSAS

Tetrahedral-framework lithium zinc phosphate phases: location of light-atom positions in LiZnPO4.H2O by powder neutron diffraction and structure determination of LiZnPO4 by ab initio methods,
W.T.A. Harrison, T.H. Gier, J.M. Nicol & G.D. Stucky,
J. Solid State Chem. 114 (1995) 249-257.
LiZnPO4, Pn21a, C1=7, Nc=21, C2=2, Sync /
TREOR, GSAS, EQUI, SHELXS (DM), CRYSTALS, GSAS

Synthesis and structure of Bi3NF6: a member with n=3 of the Vernier phases MnX2n+1,
M. Hofmamn, E. Schweda, J. Strahle, J.P. Laval, B. Frit & M.A. Estermann,
J. Solid State Chem. 114 (1995) 73-78.
Bi3NF6, Pbcm, C1=7, Nc=15, C2=7, XC12+N /
?, FULLP, SHP, PATT, ?, FULLP

The ab initio crystal-structure determination of perdeuterodimethyl- acetylene by high-resolution neutron powder diffraction,
R.M. Ibberson and M. Prager,
Acta Cryst. B51 (1995) 71-76.
CH3CCCH3, C2/m, C1=4, Nc=9, C2=4, N /
ITO, IN-HOUSE+BAYES, FULL-BAYES, MITHRIL (DM), MITHRIL, SAPS

Preparation, structure determination and thermal transformation of a new lithium zinc phosphate, delta1-LiZnPO4,
T.R. Jensen, P. Norby, P.C. Stein & A.M.T. Bell,
J. Solid State Chem. 117 (1995) 39-47.
delta1-LiZnPO4, Pna21, C1=7, Nc=20, C2=4, XC1+SYNC+N /
TREOR, ALLHKL, EQUI, SHELXS-86 (DM), XRS82, XRS82

The Crystal Structure of Hydrated Sodium Aluminate, NaAlO2,5/4H2O, and its Dehydration Product,
J.A. Kaduk and S. Pei,
J. Solid State Chem., 115 (1995) 136-139.
NaAlO2,5/4H2O, P-421m, C1=11, Nc=22, C2=1, SYNC /
ITO, GSAS, EQUI, SHELXTL (DM), SHELX, GSAS

Cs(TiAs)O5 and Cs(TiP)O5: a disordered parent structure of ABOCO4 compounds,
M. Kunz, R. Dinnebier, L.K. Cheng, E.M. McCarron, D.E. Cox, J.B. Parise, M. Gehrke, J. Calabrese, P.W. Stephens, T. Vogt & R. Papoular,
J. Solid State Chem. 120 (1995) 290-310.
Cs(TiAs)O5, Fd3m, C1=4, Nc=8, C2=3, Sync+N/
KNOWN, GSAS, EQUI, SIRPOW (DM), GSAS, GSAS

Structure of [Pd(NH3)4]Cr2O7,
Y. Laligant & A. Le Bail,
Powder Diffraction, 10 (1995) 169-164.
[Pd(NH3)4]Cr2O7, P21/c, C1=15, Nc=39, C2=4, XC12 /
TREOR, ARITB, PART, SHELXS (PATT), SHELX-76, ARIT4

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 (1995) 325-334.
Fe4V2Mo3O20, P4122, C1=16, Nc=42, C2=6, XC12 /
TREOR, FULLP, EQUI, SHELXS (DM), SHELX-76, FULLP

The crystal structure of ytterbium diiodide monohydrate by X-Ray powder diffraction,
W. Lasocha,
J. Solid State Chem. 114 (1995) 308-310.
YbI2.H2O, Pnma, C1=4, Nc=8, C2=2, XC1 /
?, ?, PART, SHELXL-86 (PATT), SHELX-76+XRS-82, DBWS-9006PC+XRS-82

Crystal structure of fibrillar potassium trimolybdate K2Mo3O10 3H2O by direct method/powder diffraction package,
W. Lasocha, J. Jansen & H. Schenk,
J. Solid State Chem. 115 (1995) 225-228.
K2Mo3O10 3H2O, Cmcm, C1=9, Nc=16, C2=3, XC12 /
PROSZKI, LSQPROF, DOREES, SIMPEL88 (DM), ?, XRS82

Crystal structure of ammonium trimolybda monohydrate (NH4)2Mo3O10.H2O by powder diffraction method,
W. Lasocha, J. Jansen & H. Shenk,
J. Solid State Chem. 116 (1995) 422-426.
(NH4)2Mo3O10.H2O, P21/m, C1=12, Nc=28, C2=7, XC12 /
?, LSQPROF, DOREES, SIMPEL88 (DM), ?, XRS82

Crystal structure of fibrillar anilinum trimolybdate 2(C6H5NH3).Mo3O10.4H2O from X-ray powder data,
W. Lasocha, J. Jansen & H. Shenk,
J. Solid State Chem. 117 (1995) 103-107.
2(C6H5NH3).Mo3O10.4H2O, Pnma, C1=27, Nc=70, C2=18, XC12 /
?, LSQPROF, DOREES, SIMPEL88 (DM), ?, XRS82

Lu3O2F5 : a new highly densified member (n=3) of the MnX2n+1 series of fluorite-related vernier phases,
J.P. Laval, A. Taoudi, A. Abaouz & B. Frit,
J. Solid State Chem. 119 (1995) 125-130.
Lu3O2F5, Pnma, C1=6, Nc=16, C2=2, XC12 /
KNOWN, ARITB, EQUI, ? (PATT), ?, FULLP

Structure of FeVMoO7,
A. Le Bail, L. Permer & Y. Laligant,
Eur. J. Solid State Inorg. Chem. 32 (1995) 883-892.
FeVMoO7, P-1, C1=10, Nc=30, C2=3, XC12 /
TREOR, FULLP, EQUI, SHELXS (DM), SHELX-76, FULLP

Structure determination of CuTh2(PO4)3,
M. Louer, R. Brochu, D. Louer, S. Arsalane & M. Ziyad,
Acta Crystallogr. B51 (1995) 908-913.
CuTh2(PO4)3, C2/c, C1=10, Nc=25, C2=1 ,XC1+N/
DICVOL91, FULLP, EQUI, MolEN (PATT), MolEN, FULLP

Structure of a metastable phase of piracetam from X-ray powder diffraction using the atom-atom potential method,
D. Louër, M. Louër, V.A. Dzyabchenko, V. Agafonov & R. Ceolin,
Acta Cryst. B51 (1995) 182-187.
C6H10N2O2, P21/n, C1=20, Nc=30, C3=1, XC1 /
DICVOL91, ..... AAP + PMC ..., FULLP

COS trapping by palladium pyrazolates - Addition vs. clathration,
N. Masciocchi, M. Moret, A. Sironi, G.A. Ardizzoia, S. Cenini & G. La Monica,
J. Chem. Soc., Chem. Commun. 19 (1995) 1955-1956.
C41H60N16OPd2S, I422, C1= , Nc= , C2=1, XC12,/
TREOR, LBM, EQUI, PATT+MB, GSAS, GSAS

Preparation and crystal structure of lithium nitride dibromide, Li5NBr2,
R. Marx & H.M. Mayer,
Z. Naturforsch. section B-A J. Cem. Sci. 50b (1995) 1353-1358.
Li5NBr2, Immm, C1=4, Nc=3, C2=4, N/
ITO, CN13LS12 (PAWLEY), EQUI, ?,?, FULLP

Powder route to crystal structures : X-ray powder diffraction determination of polymeric silver imidazolate,
N. Masciocchi, M. Moret, P. Cairati, A. Sironi, G.A. Ardizzoia & G. La Monica,
J. Chem. Soc. Dalton Trans. (1995) 1671-1675.
[{Ag(im)}n], P212121, C1=12, Nc=36, C2=2, XC12 /
TREOR, ALLHKL, PART, P-RISCON, GSAS, GSAS

The structure of La4Ti9O24 from synchrotron X-ray powder diffraction,
R.E. Morris, J.J. Owen & A.K. Cheetham,
J. Phys. Chem. Solids 56 (1995) 1297-1303.
La4Ti9O24, Fddd, C1=21, Nc=53, C2=2, Sync/ ?, LBM, EQUI, SHELXS-86 (PM), ?, ?
xxxx-C Isotypic to Nd4Ti9O24, N. Hubner & R. Gruehn, Z. Anorg. allg. Chem. 616 (1992) 86.

Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction,
J.R. Plaisier, J. Jansen, R.A.G. de Graaff & D.J.W. Ijdo,
J. Solid State Chem. 115 (1995) 464-468.
Ca3Hf2Si2O9, P21/c, C1=15, Nc=45, C2=1, XC12+N /
?, LSQPROF, DOREES, ? (PATT), ?, GSAS

Synthesis and crystal structure of zirconium chloromethylphosphonate,
D.M. Poojary, C. Bhardwaj & A. Clearfield,
J. Mater. Chem. 5 (1995) 171-174.
Zr(O3PCH2Cl)2, P21/c, C1=15, Nc=45, C2=3, XC12 /
ED+ANALOGY (?), ...MB + PATT..., GSAS

Coordinative Intercalation of alkylamines into layered zinc phenylphosphonate. Crystal structures from X-ray powder diffraction data,
D.M. Poojary & A. Clearfield,
J. Am. Chem. Soc. Vol. 117 (1995) 11278-11284.
C9H14NO3PZn, P21/c, C1=15, Nx=?, C2=2, XC12 /
ITO, MLE, PART+EQUI, TEXSAN (PATT), ?, GSAS

Synthesis and X-ray powder structure of a novel porous uranyl phenylphosphonate containing unidimensional channels flanked by hydrophobic regions,
D.M. Poojary, D. Grohol & A. Clearfield,
Angew. Chem. Int. Ed. Engl. 34 (1995) 1508-1510.
UO2(O3PC6H5).0.7H2O, P6/mcc,C1=14, Nc=27, C2=1, XC12 /
ITO, MLE, PART, ?(PATT), ?, GSAS

Crystal structure of uranyl chloromethylphosphonate from X-ray powder diffraction data,
D.M. Poojary, D. Grohol & A. Clearfield,
J. Phys. Chem. Solids 56 (1995) 1383-1388.
UO2(O3PCH2Cl), P21/c, C1=9, Nc=27, C2=8, SYNC /
ITO, MLE, PART, TEXSAN (DM), GSAS, GSAS

X-ray powder structure and Rietveld refinement of gamma-zirconium phosphate, Zr(PO4)(H2PO4).2H2O,
D.M. Poojary, B Shpeizer, A. Clearfield,
J. Chem. Soc., Dalton Trans. 1 (1995) 111-114.
Zr(PO4)(H2PO4).2H2O, P21, C1=13, Nc=38, C2=MB, XC12 /
ITO, ....model from gamma-Zr(PO4)(NH4HPO4)..., GSAS

Synthesis, X-ray powder structure and intercalation behavior of molybdenyl phenylphosphonate, MoO2(O3PC6H5).H2O,
D.M. Poojary, Y. Zhang, B. Zhang & A. Clearfield,
Chem. Mater. 7 (1995) 822-827.
MoO2(O3PC6H5).H2O, P222, C1=14, Nc=41, C2=2, XC12 /
ITO, MLE, PART, TEXSAN (PATT), ?, GSAS

Solid state lithium cyanocobaltates with a high capacity for reversible dioxygen binding - Synthesis, reactivity and structure,
D. Ramprasad, G.P. Pez, B.H. Toby, T.J. Markley & R.M. Pearlstein,
J. Am. Chem. Soc. 117 (1995) 10694-10701.
Li-3[Co(CN)5].2DMF, P21/n, C1= 24, Nc=72 , C3=3, Sync/
ITO, LBM, EQUI, PATT+DM(anticipated) with no result + Simulated annealing + Monte Carlo (customized Biosym package), ? ,GSAS

A tangent formula derived from Patterson-function arguments. III. Structure determination of zeolitic and layered materials from low-resolution powder diffraction data,
J. Rius, J. Sané, C. Miravitlles, H. Gies, B. Marler & U. Oberhagemann,
Acta Cryst. A51 (1995) 840-845.
RUB-15, Iba2, C1=?, Nc=?, C2=7, XC1/
TREOR, EXTRACT, PART, XLENS (DM), ?, ?
See also : A layer silicate : synthesis and structure of the zeolite precursor RUB-15 [N(CH3)4]8[Si24O52(OH)4].30H2O, U. Oberhagemann, P. Bayat, B. Marler, H. Gies & J. Rius, Angew. Chem.Int. Ed. Engl.35 (1996) 2869-2872.

Crystal structure of the phosphorous oxynitride P4ON6,
J. Ronis, B. Bondars, A. Vitola & T. Millers,
J. Solid State Chem. 115 (1995) 265-269.
P4ON6, Pnnm, C1=5, Nc=8, C2=2, XC12+N /
?, POWDER, PART, SHELX-76 (PATT), SHELX-76, DBWS

Ab initio structure determination of uranyl divanadate (UO2)2V2O7 from powder X-ray diffraction data,
N. Tancret, S. Obbade & F. Abraham,
Eur. J. Solid State Inorg. Chem. 32 (1995) 195-207.
(UO2)2V2O7, P21/c, C1=8, Nc=21, C2=2, XC12 /
TREOR, FULLP, PART, SHELXS86 (PATT+DM), ?, FULLP

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