Identification and structural characterization of Ca(PtxCu(1-x))(3)O-4
Wu-NL; Wu-DS; Rusakova-IA; Ross-DK; Stephens-PW
MATERIALS-RESEARCH-BULLETIN. NOV-DEC 1999; 34 (14-15) : 2151-2157
Ca(PtxCu(1-x))(3)O-4 (0.2 < x < 0.3), The composition and structure were determined with an electron probe using wave-dispersive spectrometry (WDS), electron diffraction, and powder X-ray diffraction.

Order-disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH3)(3)](4) and tetrakis(trimethylsilyl)silane Si[Si(CH3)(3)](4)
Dinnebier-RE; Dollase-WA; Helluy-X; Kummerlen-J; Sebald-A; Schmidt-MU; Pagola-S; Stephens-PW; van-Smaalen-S
ACTA-CRYSTALLOGRAPHICA-SECTION-B-STRUCTURAL-SCIENCE. DEC 1 1999; 55 Part 6 : 1014-1029

Synthesis and crystal structure of Rb3PbCl5
Beck-HP; Monzel-H; Haberkorn-R; Stephens-PW; Dinnebier-R
ZEITSCHRIFT-FUR-ANORGANISCHE-UND-ALLGEMEINE-CHEMIE. DEC 1999; 625 (12) : 1998-2002
Rb3PbCl5, Pnma

Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data
Chernyshev-VV; Yatsenko-AV; Tafeenko-VA; Sonneveld-EJ; Schenk-H; Makarov-VA
POWDER-DIFFRACTION. DEC 1999; 14 (4) : 289-292
1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate, C9H10N4O3. H2O, grid search procedure.

Metal Pyrazolato Complexes: Synthesis, Characterization and X-ray Powder Diffraction Studies of Group 12 Coordination Polymers,
N.Masciocchi, G.A.Ardizzoia, A.Maspero, G.La Monica and A.Sironi,
Inorg.Chem., (1999), 38, 3657.

Crystal and Molecular Structures of [1-(2-aminoethyl)-1,2-dihydroimidazolidene-2] nitroacetonitrile (C7H11N5O2) and 3,7-diamino-4-nitro-6-hydroxy-8-oxopyrazolo[1,5-a] pyrimidine monohydrate (C6H6N6O4.H2O) from X-ray, Synchrotron and Neutron Powder Diffraction Data.
V.V. Chernyshev, A.N. Fitch, E.J. Sonneveld, A.I. Kurbakov, V.A. Makarov and V.A.Tafeenko,
Acta Cryst. B55 (1999) 554-562.

The Low-Temperature Structures of Bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2] nonane.
A.J. Mora and A.N. Fitch,
Z. Kristallogr. 214 (1999)  480-485.

The structure of cesium tellurate (VI) by combined EXAFS and powder X-ray diffraction
Weller MT.  Pack MJ.  Binsted N.  Dann SE.
J. Alloy. Compd. 282(1-2):76-78, 1999.
Cs2TeO4,

Ab initio structure determination of [(dimethylamino)methylene]bis[phosphonic acid] dihydrate from X-ray powder
  diffraction data: Comparison with the corresponding monohydrate and unhydrated form
Neels A.  Stoeckli-Evans H.  Costisella B.  Jancke H.  Knudsen KD. Pattison P.
Helv. Chim. Acta. 82(1):35-43, 1999.
C3H11NO6P2. 2H(2)O, P21/c,,Sync /
,,DM,,

Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction
Goutenoire F.  Retoux R.  Suard E.  Lacorre P.
J. Solid State Chem. 142(1):228-235, 1999.
La7Mo7O30, R-3,,, XC12+N /

Structure solution from powder data of the hydrous layer silicate kanemite, a precursor of the industrial ion exchanger SKS-6
Vortmann S.  Rius J.  Marler B.  Gies H.
Eur. J. Mineral. 11(1):125-134, 1999.
NaH[Si2O5]*3H(2)O, Pbcn,
,,DM,,

A powder diffraction study of BaCaGa4O8
Kubota S.  Yamane H.  Shimada M.
Acta Crystallogr. Sect. C-Cryst. Struct. Commun. 55(Part 1):14-17, 1999.
BaCaGa4O8,

Structure refinement of Rb4Mg3D10 on neutron powder diffraction data
Gingl F.  Vogt T.  Akiba E.  Yvon K.
J. Alloy. Compd. 284(1-2):L4-L6, 1999.
Rb4Mg3D10, Cmca,

A new structural model for Pb-deficient PbWO4
Moreau JM.  Gladyshevskii RE.  Galez P.  Peigneux JP.  Korzhik MV.
J. Alloy. Compd. 284(1-2):104-107, 1999.
Pb7W8O32-x, tetragonal, tP48, space group P-4-h(10)g(2)dcba,

2-aminophenalenone: Crystal data and molecular packing
Yatsenko AV.  Chernyshev VV.  Schenk H.
Powder Diffr. 14(1):42-44, 1999.
2-aminophenalenone, P2(1)/n,

Ab initio determination and Rietveld refinement of the crystal structure of Ni0.50TiO(PO4)
Gravereau P.  Chaminade JP.  Manoun B.  Krimi S.  El Jazouli A.
Powder Diffr. 14(1):10-15, 1999.
Ni0.50TiO(PO4), P21/c,
  ,,, Patterson,

Evolving opportunities in structure solution from powder diffraction data  - Crystal structure determination of a molecular system with twelve variable torsion angles
Kariuki BM.  Calcagno P.  Harris KDM.  Philp D.  Johnston RL.
Angew. Chem.-Int. Edit. 38(6):831-835, 1999.
Genetic algorithm

Synthesis and structure determination of the first ternary cadmium hydride, Cs3CdH5
Bortz M.  Gutmann M.  Yvon K.
J. Alloy. Compd. 285(1-2):L19-L21, 1999.
Cs3CdH5, I4/mcm,,

RGe2-x compounds (R = Y, Gd-Ho) with new ordered ThSi2-defect structures
Venturini G.  Ijjaali I.  Malaman B.
J. Alloy. Compd. 285(1-2):194-203, 1999.
14 new ordered ThSi2-defect derivatives have been characterized.
The crystal structures of the Dy11Ge18, Ho14Ge23, Gd(17)Ge(29 ) have been refined from
  powder X-ray diffraction.

Single-crystal-like diffraction data from polycrystalline materials
Wessels T.  Baerlocher C.  McCusker LB.
Science. 284(5413):477-479, 1999.
Genetic algorithm.
 UTD-1, ,C1=69

Hydrothermal synthesis and structure determination of [VF(PO4),N2C2H9] and [Ti(OH)(PO4),N2C2H9], two M(III) phosphates with the ULM-11 bidimensional topology
Riou-Cavellec M.  Serre C.  Ferey G.
Comptes Rendus Acad. Sci. Ser. II C. 2(3):147-152, 1999.
[Ti-III(OH)(PO4), en] (en = ethylenediamine), P21/c,

Combination of energy minimizations and rigid-body Rietveld refinement:  the structure of 2,5-dihydroxybenzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one
Schmidt MU.  Dinnebier RE.
J. Appl. Crystallogr. 32(Part 2):178-186, 1999.
C18H10N2O3, Pna21
Packing, rigid body Rietveld refinement

Structure of the polymer electrolyte poly(ethylene oxide)(6): LiAsF6
MacGlashan GS.  Andreev YG.  Bruce PG.
Nature. 398(6730):792-794, 1999.
PEO:LiAsF6,
Simulated annealing

Hydrothermal synthesis and ab initio structure determination from powder data of a new three-dimensional mixed valence oxyfluorinated titanium phosphate with an open structure: (TiTiF)-Ti-III-F-IV(PO4)(2).2H(2)O or MIL-15
Serre C.  Guillou N.  Ferey G.
J. Mater. Chem. 9(5):1185-1189, 1999.
(TiTiF)-Ti-III-F-IV(PO4)(2). 2H(2)O (MIL-15), P21/n

The isothermal section at 400 degrees C of the Nd-Cu-Sn ternary system
Riani P.  Fornasini ML.  Marazza R.  Mazzone D.  Zanicchi G.  Ferro R.
Intermetallics. 7(7):835-846, 1999.
Nd2Cu3Sn6,

A synchrotron X-ray powder diffraction study of 4-(2,3,4-trifluorophenyl)-1,2,3,5-dithiadiazolyl. Crystal structure determination using a global optimisation method
Bell AMT.  Smith JNB.  Attfield JP.  Rawson JM.  Shankland F.  David WIF.
New J. Chem. 23(6):565-567, 1999.
C6H2F3CNSSN, , , Sync/
GOM, Rigid body refined

Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction
Yatsenko AV.  Chernyshev VV.  Zhukov SG.  Sonneveld EJ.  Schenk H.
Powder Diffr. 14(2):133-135, 1999.
C18H12O2), P212121, ,, /
Grid search

Ab initio structure determination and dehydration dynamics of YK(C2O4)(2)center dot 4H(2)O studied by X-ray powder diffraction
Bataille T.  Auffredic JP.  Louer D.
Chem. Mat. 11(6):1559-1567, 1999.
YK(C2O4)(2). 4H(2)O, I41/a
YK(C2O4)(2). 1.64H(2)O,

Crystal structure investigation and conductivity of binary bismuth-cadmium oxide Bi2CdO4
Kirik SD.  Shimanskiy AF.  Koryagina TI.
Solid State Ion. 122(1-4):249-254, 1999.
Bi2CdO4, I41/amd

Ab initio structure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data
Chan FC.  Anwar J.  Cernik R.  Barnes P.  Wilson RM.
J. Appl. Crystallogr. 32(Part 3):436-441, 1999.
sulfathiazole [4-amino-N-(2,3-dihydro-2-thiazolylidene)benzenesulfonamide, C9H9-N3O2S] polymorphic form V, P2(1)/m,
,,DM,,

beta-SrNH and beta-SrND - Synthesis and crystal structure determination by X-ray and neutron powder diffraction
Schultz-Coulon V.  Irran E.  Putz B.  Schnick W.
Z. Anorg. Allg. Chem. 625(7):1086-1092, 1999.
beta-SrNH, Pnma,
,,DM,,

Structural investigation of the potassium vanadomolybdate crystal
Mucha D.  Olszewski PK.  Napruszewska B.
J. Solid State Chem. 146(1):197-201, 1999.
KVMoO6, Pnma,
,,DM, ,

Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Ehrenberg H.  Hasse B.  Schwarz K.  Epple M.
Acta Crystallogr. Sect. B-Struct. Sci. 55(Part 4):517-524, 1999.
lithium chloroacetate, P21/c
Monte Carlo

Crystal structure determination of a series of benzene derivatives from powder data
Goubitz K.  Sonneveld EJ.  Chernyshev VV.  Yatsenko AV.  Zhukov SG.  Reiss CA.  Schenk H.
Z. Kristall. 214(8):469-474, 1999.
4-(hydroxyl-phenyl)acetonitrile, P21/c
4-(nitro-phenyl)-acetonitrile, P21/c
2-(4-methoxy-phenoxy)-ethanol, Pbcn
1-bromomethyl-4-nitrobenzene, P212121
1,4-dichloro-2-nitro-benzene, P-1,
Grid search, soft constraints during Rietveld refinement

Structure determination of a steroid directly from powder diffraction data
Kariuki BM.  Psallidas K.  Harris KDM.  Johnston RL.  Lancaster RW. Staniforth SE.  Cooper SM.
Chem. Commun. (17):1677-1678, 1999.
fluticasone propionate,
Genetic Algorithm

Powder X-ray diffraction study of disilver(1(+)) pentacyanonitrosylferrate(2(-))
Venegas V.  Gomez A.  Reguera E.
Powder Diffraction. 14(3):219-221, 1999.
disilver(1(+)) pentacyanonitrosylferrate( 2(-)), indexed, but structure unknown ??

Sn3N4, a tin(IV) nitride - Syntheses and the first crystal structure determination of a binary tin-nitrogen compound
Scotti N.  Kockelmann W.  Senker J.  Trassel S.  Jacobs H.
Z. Anorg. Allg. Chem. 625(9):1435-1439, 1999.
Sn3N4, Fd3m

A powder diffraction study of iron oxide hydroxide nitrate, Fe2O(OH)(3)NO3.H2O: ab initio structure determination and anion exchange reactions
Pelloquin L.  Louer M.  Louer D.
An. Quim.-Int. Ed. 94(6):369-373, 1998.
Fe2O(OH)(3)NO3.H2O, Pc, /
,, DM,

Copper coordination polymers containing the ligand tetraminomethylpyrazine (tampyz): structure determination from laboratory X-ray powder diffraction data
Neels A.  Stoeckli-Evans H.
An. Quim.-Int. Ed. 94(6):363-368, 1998.
([Cu2Cl3 (tampyz)](2) [Cu2Cl4(tampyz)] (H2O)(2) (ClO4)(2))(n)

Hydrothermal crystallisation and X-ray structure of anhydrous strontium oxalate
Price DJ.  Powell AK.  Wood PT.
Polyhedron. 18(19):2499-2503, 1999.
Sr(C2O4),

Synthesis and characterization of uranium(IV)-bearing members of the [NZP] structural family
Hawkins HT.  Spearing DR.  Veirs DK.  Danis JA.  Smith DM.  Tait CD. Runde WH.  Spilde MN.  Scheetz BE.
Chem. Mat. 11(10):2851-2857, 1999.
KU2(PO4)(3), C2/c,

Hybrid organic-inorganic frameworks (MIL-n). Hydrothermal synthesis of a series of pillared lanthanide carboxyethylphosphonates and X-ray powder ab initio structure determination of MIL-19, Pr[O3P(CH2)(2)CO2]
Serpaggi F.  Ferey G.
Inorg. Chem. 38(21):4741-4744, 1999.
Pr-III[O3P(CH2)(2)CO2], P21/m,

Ab-initio X-ray powder structure analysis of two polymorphs of dihydroxysilicon phthalocyanine
Kojima Y.  Osano YT.  Ohashi T.
Bull. Chem. Soc. Jpn. 72(10):2203-2210, 1999.
Two polymorphs of [Si(OH)(2)Pc], where Pc = phtalocyaninato.
Phase I, P-1,
Phase II, P21/n,

2,4,6-triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors
Tremayne M.  MacLean EJ.  Tang CC.  Glidewell C.
Acta Crystallogr. Sect. B-Struct. Sci. 55(Part 6):1068-1074, 1999.
C15H25NO2S, P21/c, , , Sync /
Monte Carlo

Structure determination of a low temperature phase of calcium and strontium amide by means of neutron powder diffraction on Ca(ND2)(2) and Sr(ND2)(2)
Senker J.  Jacobs H.  Muller M.  Press W.  Mayer HM.  Ibberson RM.
Z. Anorg. Allg. Chem. 625(12):2025-2032, 1999.
Ca(ND2)2, P21/c, , , N/

Hybrid open-frameworks (MIL-n): Syntheses and structures of 2-dimensional gallium methylphosphonates (MIL-23) and 3-dimensional copper vanadium methyldiphosphonate (MIL-24)
Paulet C.  Serre C.  Loiseau T.  Riou D.  Ferey G.
Comptes Rendus de l Academie des Sciences Serie II Fascicule C-Chimie.  2(11-13):631-636, 1999
Ga-3(OH)(3)F-3(MePO3)(2) H2N(CH2)(3)NH3, P-3

Synthesis, characterization, and X-ray powder structure of K₂ZrGe₂O₇.
P. Pertierra, M.A. Salvado, S. Garcia-Granda, C. Trabajo, J.R. Garcia, A.I. Bortun and A. Clearfield
J. Solid State Chem. 148 (1999) 41-49
K₂ZrGe₂O₇, C2/c, C1=7, Nc=16, C2=7, XC12 /
TREOR, LBM, EQUI, SIRPOW (DM), , RIET94

Determination of 4-Connected Framework Crystal Structures by Simulated Annealing
M. W. Deem and J. M. Newsam
Nature 342 (1989) 260-262.
lithium gallosilicate
ZEFSA

The Crystal Structure of a new Zinc Arsenate Phase Solved by Simulated Annealing
T. M. Nenoff, W. T. A Harrison, G. D. Stucky, J. M. Nicol, and J. M. Newsam,
Zeolites 13 (1993) 506-510.
sodium zinc arsenate
ZEFSA

UIO-6---A Novel 12-ring ALPO4, Made in an Inorganic-Organic Cation System
D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, T. Haug, A. Karlsson, and K. P. Lillerud
Chem. Comm. 13 (1996) 1553-1554.
UIO-6
ZEFSA

UIO-7 A new aluminophosphate Phase Solved by Simulated Annealing and High-Resolution Powder Diffraction
D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, J. Hustveit, A. Karlsson, and K. P. Lillerud
J. Phys. Chem. 100 (1996) 16641-16646.
see also: D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, J. Hustveit, A. Karlsson, and K. P. Lillerud
The Synthesis and Structure Solution of UIO-7, A new Molecular Sieve," Chem. Comm. 5 (1996) 601-602.
UIO-7.
ZEFSA

ECR-9.
K. G. Strohmaier, D. E. W. Vaughan, B. Zhang, Exxon Corporate Research (1994).
ECR-9.
ZEFSA

ECR-34.
K. G. Strohmaier, D. E. W. Vaughan, B. Zhang, Exxon Corporate Research (1998).
ECR-34.
ZEFSA

The Dupont powder challenge: The crystal structure of [C₅NH₆][Al₃F₁₀] - A cautionary tale
R.L. Harlow, N. Herron, ZG. Li, T. Vogt, L. Solovyov, S. Kirik
Chemistry of Materials 11 (1999) 2562-2567.
[C₅NH₆][Al₃F₁₀] , C2/m,

Hydrothermal synthesis and structural characterization of two layered diamine pentamolybdates : (C₂H₁₀N₂)[Mo₅O₁₆] and (C₄H₁₂N₂)[Mo₅O₁₆]
N. Guillou and G. Ferey
J. Solid State Chem. 147 (1999) 240-246.
(C₂H₁₀N₂)[Mo₅O₁₆], P2/n, C1=13, Nc=36, C2=13, XC12 /
DICVOL91, FULLPROF, EQUI, SIRPOW92 (DM), , FULLPROF

Hydrothermal synthesis, powder structural determination, and magnetic study of the novel hydrated iron diphosphonate [Fe(H₂O)₂(O₃P-CH₂-PO₃H)₂](H₂O)₂ or MIL-13
M. Riou-Cavellec, C. Serre, J. Robino, M. Nogues, J.-M. Greneche and G. Ferey
J. Solid State Chem. 147 (1999) 122-131.
[Fe(H₂O)₂(O₃P-CH₂-PO₃H)₂](H₂O)₂, P-1, C1=24, Nc=72, C2=?, XC12 /
DICVOL, FULLPROF, EQUI, SIRPOW92 (DM), , FULLPROF

Synthesis and ab initio structure determination from X-ray powder diffraction of MIL-12, a new layered fluoroaluminophosphate templated with 1,3 diaminopropane: [N₂C₃H₁₂]Al₂(PO₄)(OH_x,F_5-x)(x~2)
N Simon, N. Guillou, T. Loiseau, F. Taulelle and G. Ferey
J. Solid State Chem. 147 (1999) 92-98.
[N₂C₃H₁₂]Al₂(PO₄)(OH_x,F_5-x)(x~2), P2₁/m, C1=14, Nc=29, C2=14, XC12 /
DICVOL, FULLPROF, EQUI, SIRPOW92 (DM), , FULLPROF

The crystal structure of the new REE-Te oxychlorides : NdTe2O5Cl and GdTe2O5Cl
G.B. Nikiforov, A.M. Kusainova, P.S. Berdonosov, V.A. Dolgikh and P. Lighfoot
J. Solid State Chem. 146 (1999) 473-477.
NdTe2O5Cl, P4/mmm, C1=5, Nc=2, C2=3, XC1 /
All by CSD package, MULTAN (DM), , RIETAN

Crystal structure analysis of two crystalline bi(omega-hydroxyalkoxy)biphenyls using a combination of powder diffraction, IR spectroscopy and molecular simulation
A. van Langevelde, P. Capkova, E. Sonneveld, H. Schenk, M. Trchova and M. Ilavsky
J. Synchrotron Rad. 6 (1999) 1035-1043.
D-6- C24H34O4, Cc, C1=62 (28 non-H), Nc=186, C2=MB, Sync/
ITO, MRIA, Model Building by Cerius-2, location by grid-search, bond-restrained Rietveld refinement

Structure of [Co(NH3)5CO3]NO3.H2O
J.H. Zhu, H.X. Wu and A. Le Bail
Solid State Sciences 1 (1999) 55-62.
[Co(NH3)5CO3]NO3.H2O, P21, C1=15, Nc=44, C2=10, XC12 /
TREOR, FULLPROF, EQUI, SHELXS-97 (DM), SHELX-76, FULLPROF

Disorder determined by high-resolution powder diffraction: structure of
pentamethylcyclopentadienyllithium
R. E. Dinnebier, M. Schneider, S. van Smaalen, F. Olbrich and U. Behrens
Acta Cryst. (1999). B55, 35 - 44.

Ag2[Pd(NH3)2(SO3)2] powder
L. A. Solovyov, A. I. Blokhin, R. F. Mulagaleev and S. D. Kirik
Acta Cryst. (1999). C55, 293 - 296
Ag2[Pd(SO3)2(NH3)2],
Patterson

A High Resolution X-ray Powder Diffraction Study of the Products of Reaction of Dimethylsulphide with Bromine; Crystal and Molecular Structures of (CH₃)₂SBr_n (n = 2, 2.5 and 4)
G.B.M. Vaughan, A.J. Mora, A.N. Fitch, P.N. Gates and A.S. Muir
J. Chem. Soc., Dalton Trans. (1999) 79-84.
(CH₃)₂SBr₂, P2₁/a, C1=11, Nc=33, C2=?, Sync /
FZON, LBM (964hkl), EQUI, SHELXS (DM), ? , PROFIL
(CH₃)₂SBr_2.5, Cmca, C1=13, Nc=35, C2=?, Sync /
TREOR90 (from a biphasic powder), FULLPROF, EQUI, SIRPOW92 (DM), ?, PROFIL
(CH₃)₂SBr₄, P21/n, C1=13, Nc=39, C2=?, Sync /
TREOR90 (from a biphasic powder), FULLPROF, EQUI, SIRPOW92 (DM), ?, PROFIL

Crystal Structures of 2,6-Disubstituted Naphthalenes
J. A. Kaduk and J. T. Golab,
Acta Cryst., B55, 85-94 (1999) 
(2 structures).
2,6-naphthalenedicarboxylic acid (NDA)
dimethyl 2,6-naphthalenedicarboxylate (NDC)
solved ab initio using a combination of X-ray powder diffraction and computational chemistry techniques.

The Crystal Structure of Trimellitic Anhydride and Two of Its Solvates
J. A. Kaduk, J. T. Golab, and F. J. J. Leusen
Crystal Engineering, 1(3/4), 277-290 (1999)
trimellitic anhydride (TMA), solved using Monte Carlo simulated annealing techniques, and refined using synchrotron powder diffraction data.

Crystal Structures of Metal Aluminum Borates
J. A. Kaduk, L. C. Satek, and S. T. McKenna,
he Rigaku Journal, 16(2), 17-30 (1999) 
(2 structures).
 

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