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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9012205	CIF	Ca3 O9 Si2 Zr	P 1 21/c 1	7.3603; 10.1766; 10.4514 90; 90.875; 90	782.748	Plaisier, J. R.; Jansen, J.; de Graaff, R. A. G.; Ijdo, D. J. W. Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction Journal of Solid State Chemistry, 1995, 115, 464-468
9012206	CIF	Ca3 Hf O9 Si2	P 1 21/c 1	7.3517; 10.1489; 10.4319 90; 91.084; 90	778.202	Plaisier, J. R.; Jansen, J.; de Graaff, R. A. G.; Ijdo, D. J. W. Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction Journal of Solid State Chemistry, 1995, 115, 464-468
9012207	CIF	Ca O4 S	C 2 2 2	12.0777; 6.9723; 6.304 90; 90; 90	530.856	Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Journal of Solid State Chemistry, 1995, 117, 165-176
9012208	CIF	Ca H O4.5 S	I 1 2 1	12.0317; 6.9272; 12.6711 90; 90.27; 90	1056.07	Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176
9012209	CIF	Ca H O4.5 S	I 1 2 1	12.0317; 6.9269; 12.6712 90; 90.27; 90	1056.04	Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, neutron Diffraction Journal of Solid State Chemistry, 1995, 117, 165-176
9012210	CIF	Ca H1.33333 O4.6 S	I 1 2 1	11.9845; 6.9292; 12.7505 90; 90; 90	1058.84	Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176
9012211	CIF	Ca H1.2 O4.6 S	I 1 2 1	11.9845; 6.9292; 12.7505 90; 90; 90	1058.84	Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, neutron Diffraction Journal of Solid State Chemistry, 1995, 117, 165-176
9012212	CIF	H4 In O6 P	P b c a	8.842; 10.187; 10.327 90; 90; 90	930.189	Xu, Y.; Koh, L. L.; An, L. H.; Xu, R. R.; Qiu, S. L. A comparative study of a novel microporous indiumphosphate and other M(III)X(V)O4-type microporous materials Journal of Solid State Chemistry, 1995, 117, 373-378
9012213	CIF	H28 K Mg2 Na O22 P2	P n m a	25.1754; 6.9316; 11.2189 90; 90; 90	1957.76	Yang, H.; Sun, H. J. Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O Journal of Solid State Chemistry, 2004, 177, 2991-2997
9012214	CIF	Al4.3 Ca0.76 H54 Na2.84 O48.38 Si13.7	C 1 2/m 1	17.677; 17.931; 7.426 90; 116.47; 90	2107.04	Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Locality: Nasik, India Journal of Solid State Chemistry, 1996, 123, 140-149
9012215	CIF	Al4.3 H46 K4.2 O45.64 Si13.7	C 1 2/m 1	17.636; 17.934; 7.397 90; 116; 90	2102.78	Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149
9012216	CIF	Al2.15 H12.92 O22.34 Rb2.11 Si6.85	C 1 2/m 1	17.686; 18.007; 7.403 90; 116.15; 90	2116.33	Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149
9012217	CIF	Al4.34 Ca0.2 Cs4.16 H30 O42.35 Si13.66	C -1	17.76; 18.095; 7.428 89.91; 115.93; 90.18	2146.79	Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149
9012218	CIF	H In2 K2 O10 P2	P 21 21 21	9.277; 9.339; 11.245 90; 90; 90	974.243	Hriljac, J. A.; Grey, C. P.; Cheetham, A. K.; VerNooy, P. D.; Torardi, C. C. Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra Journal of Solid State Chemistry, 1996, 123, 243-248
9012219	CIF	Mg0.01 O5 V2	P m n 21	11.544; 4.383; 3.574 90; 90; 90	180.835	Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P. Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: I Journal of Solid State Chemistry, 1996, 123, 317-323
9012220	CIF	O5 V2	P m n 21	11.544; 4.383; 3.571 90; 90; 90	180.683	Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P. Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIa Journal of Solid State Chemistry, 1996, 123, 317-323
9012221	CIF	O5 V2	P m m n :2	11.544; 3.571; 4.383 90; 90; 90	180.683	Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P. Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIb Journal of Solid State Chemistry, 1996, 123, 317-323
9012222	CIF	Mg Nb2 O6	P b c n	14.1875; 5.7001; 5.0331 90; 90; 90	407.028	Pagola, S.; Carbonio, R. E.; Alonso, J. A.; Fernandez-Diaz M T Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14<x<1.60) phases Locality: synthetic Note: reported and calculated Biso(O2)'s do not match Journal of Solid State Chemistry, 1997, 134, 76-84
9012224	CIF	Cu0.999 S1.5 Sn0.501	I -4 2 m	5.413; 5.413; 10.824 90; 90; 90	317.149	Chen, X.; Wada, H.; Sato, A.; Mieno, M. Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and structure refinement of Cu2SnS3 Journal of Solid State Chemistry, 1998, 139, 144-151
9012225	CIF	Cu4 S16 Sn7	R -3 m :H	7.372; 7.372; 36.01 90; 90; 120	1694.82	Chen, X.; Wada, H.; Sato, A.; Mieno, M. Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and structure refinement of Cu2SnS3 Journal of Solid State Chemistry, 1998, 139, 144-151
9012226	CIF	Al0.06 Ca1.04 Fe0.19 H0.91 Mn0.07 Na0.01 O6.91 Sb1.64 Ti0.76	F d -3 m :2	10.277; 10.277; 10.277 90; 90; 90	1085.42	Rouse, R. C.; Dunn, P. J.; Peacor, D. R.; Wang, L. Structural studies of the natural antimonian pyrochlores I. Mixed valency, cation site splitting, and symmetry reduction in lewisite Sample: Fd-3m refinement Journal of Solid State Chemistry, 1998, 141, 562-569
9012227	CIF	Al0.06 Ca1.04 Fe0.19 H0.91 Mn0.07 Na0.01 O6.91 Sb1.64 Ti0.76	F -4 3 m	10.277; 10.277; 10.277 90; 90; 90	1085.42	Rouse, R. C.; Dunn, P. J.; Peacor, D. R.; Wang, L. Structural studies of the natural antimonian pyrochlores I. Mixed valency, cation site splitting, and symmetry reduction in lewisite Sample: F-43m refinement Journal of Solid State Chemistry, 1998, 141, 562-569
9012228	CIF	Al0.06 Ca1.04 Fe0.19 H0.91 Mn0.07 Na0.01 O6.91 Sb1.64 Ti0.76	F 2 3	10.277; 10.277; 10.277 90; 90; 90	1085.42	Rouse, R. C.; Dunn, P. J.; Peacor, D. R.; Wang, L. Structural studies of the natural antimonian pyrochlores I. Mixed valency, cation site splitting, and symmetry reduction in lewisite Sample: F23 refinement Journal of Solid State Chemistry, 1998, 141, 562-569
9012229	CIF	Cl Fe2 H3 O12 Te4	P -1	5.103; 6.653; 9.012 73.4; 78.03; 76.76	282.09	Feger, C. R.; Kolis, J. W.; Gorny, K.; Pennington, C. Rodalquilarite revisited: the hydrothermal synthesis and structural reinvestigation of H3Fe2(TeO3)4Cl Journal of Solid State Chemistry, 1999, 143, 254-259
9012244	CIF	Ga H4 N O8 P2 Zn	P 1 21/a 1	9.406; 9.881; 8.612 90; 90.58; 90	800.364	Logar, N. Z.; Mrak, M.; Kaucic, V. Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: Paracelsian analog Journal of Solid State Chemistry, 2001, 156, 480-486
9012245	CIF	Ga H8 N2 O12 P3 Zn2	I 21 3	13.456; 13.456; 13.456 90; 90; 90	2436.4	Logar, N. Z.; Mrak, M.; Kaucic, V. Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: analcime analog Note: changed O1(x,y) and O3(x,y,z) to match reported bond distances Journal of Solid State Chemistry, 2001, 156, 480-486
9012246	CIF	H6 In2 Na2 O17 P4	P -1	9.30131; 9.4976; 9.2685 98.71; 98.953; 60.228	699.418	Mi, J. X.; Huang, Y. X.; Mao, S. Y.; Huang, X. D.; Wei, Z. B.; Huang, Z. L.; Zhao, J. T. Hydrothermal synthesis and crystal structure of Na2In2[PO3(OH)]4*H2O with a new structure type Journal of Solid State Chemistry, 2001, 157, 213-219
9012247	CIF	Al H O2	C m c m	2.851; 12.12; 3.736 90; 90; 90	129.094	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 23 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012248	CIF	Al H O2	C m c m	2.8796; 12.205; 3.761 90; 90; 90	132.182	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 30 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012249	CIF	Al H O2	C m c m	2.8675; 12.274; 3.733 90; 90; 90	131.386	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 50 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012250	CIF	Al H O2	C m c m	2.8686; 12.265; 3.715 90; 90; 90	130.706	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 100 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012251	CIF	Al H O2	C m c m	2.8695; 12.232; 3.6945 90; 90; 90	129.676	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 140 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012252	CIF	Al H O2	C m c m	2.8681; 12.2256; 3.6941 90; 90; 90	129.531	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 180 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012253	CIF	Al H O2	C m c m	2.8678; 12.2188; 3.6941 90; 90; 90	129.445	Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 240 C Journal of Solid State Chemistry, 2001, 159, 32-40
9012254	CIF	F7 In Mg Na2	P n m a	10.435; 7.345; 7.553 90; 90; 90	578.9	Caramanian, A.; Souron, J. P.; Gredin, P.; de Kozak, A. The crystal structure of the weberite Na2MgInF7 Journal of Solid State Chemistry, 2001, 159, 234-238
9012255	CIF	Ca Mn2 O4	P b c m	3.15886; 9.9958; 9.6776 90; 90; 90	305.573	Ling, C. D.; Neumeier, J. J.; Argyriou, D. N. Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 300 K Journal of Solid State Chemistry, 2001, 160, 167-173
9012256	CIF	Ca Mn2 O4	P b c m	3.14685; 9.9528; 9.67166 90; 90; 90	302.916	Ling, C. D.; Neumeier, J. J.; Argyriou, D. N. Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 20 K Journal of Solid State Chemistry, 2001, 160, 167-173
9012257	CIF	Ni P S	P 21 3	5.5386; 5.5386; 5.5386 90; 90; 90	169.903	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012258	CIF	As Ni S	P 21 3	5.6888; 5.6888; 5.6888 90; 90; 90	184.103	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012259	CIF	Ni S Sb	P 21 3	5.9341; 5.9341; 5.9341 90; 90; 90	208.961	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012260	CIF	As Ni Se	P 21 3	5.8469; 5.8469; 5.8469 90; 90; 90	199.884	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012261	CIF	Ni Sb Se	P 21 3	6.0868; 6.0868; 6.0868 90; 90; 90	225.511	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012262	CIF	As Pd S	P 21 3	5.9507; 5.9507; 5.9507 90; 90; 90	210.719	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012263	CIF	As Pd Se	P 21 3	6.0948; 6.0948; 6.0948 90; 90; 90	226.401	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012264	CIF	Pd Sb Se	P 21 3	6.324; 6.324; 6.324 90; 90; 90	252.916	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012265	CIF	Pd Sb Te	P 21 3	6.5362; 6.5362; 6.5362 90; 90; 90	279.239	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012266	CIF	Ni P1.86 Se0.14	P a -3	5.479; 5.479; 5.479 90; 90; 90	164.477	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012267	CIF	Ni P0.24 Se1.76	P a -3	5.901; 5.901; 5.901 90; 90; 90	205.483	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012268	CIF	Ni0.766 Sb0.5 Te0.5	P 63/m m c	3.9158; 3.9158; 5.2011 90; 90; 120	69.066	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012269	CIF	P Pd Se	P b c n	13.594; 5.8317; 5.8583 90; 90; 90	464.423	Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78
9012270	CIF	H13 N3 O8 S2	C 1 2/c 1	15.418; 5.905; 10.223 90; 102.806; 90	907.585	Friese, K.; Aroyo, M. I.; Schwalowsky, I.; Adiwidjaja, G.; Bismayer, U. The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship to the room-temperature phase Locality: synthetic Sample: T = 293 K Journal of Solid State Chemistry, 2002, 165, 136-147
9012271	CIF	H13 N3 O8 S2	R -3 m :H	5.9039; 5.9039; 22.536 90; 90; 120	680.276	Friese, K.; Aroyo, M. I.; Schwalowsky, I.; Adiwidjaja, G.; Bismayer, U. The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship to the room-temperature phase Locality: synthetic Sample: T = 420 K Note: high-temperature polymorph of letovicite Journal of Solid State Chemistry, 2002, 165, 136-147
9012272	CIF	H5 In N O5 P	P 43 21 2	9.416; 9.416; 11.159 90; 90; 90	989.369	Mao, S. Y.; Li, M. R.; Huang, Y. X.; Mi, J. X.; Chen, H. H.; Wei, Z. B.; Zhao, J. T. Hydrothermal synthesis and crystal structure of the first ammonium indium(III) phosphate NH4In(OH)PO4 with spiral chains of InO4(OH)2 Journal of Solid State Chemistry, 2002, 165, 209-213
9012273	CIF	Al H O2	C m c m	2.8656; 12.226; 3.6886 90; 90; 90	129.229	Bokhimi, X.; Sanchez-Valente J; Pedraza, F. Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 3 days, T = 473 K Journal of Solid State Chemistry, 2002, 166, 182-190
9012274	CIF	Al H O2	C m c m	2.86676; 12.223; 3.6907 90; 90; 90	129.324	Bokhimi, X.; Sanchez-Valente J; Pedraza, F. Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 7 days, T = 473 K Journal of Solid State Chemistry, 2002, 166, 182-190
9012275	CIF	Al H O2	C m c m	2.8668; 12.2189; 3.6922 90; 90; 90	129.335	Bokhimi, X.; Sanchez-Valente J; Pedraza, F. Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 15 days, T = 473 K Journal of Solid State Chemistry, 2002, 166, 182-190
9012276	CIF	H5 In N O5 P	P 43 21 2	9.4232; 9.4232; 11.1766 90; 90; 90	992.445	Filaretov, A. A.; Zhizhin, M. G.; Komissarova, L. N.; Danilov, V. P.; Chernyshev, V. V.; Lazoryak, B. I. Synthesis and structure of the new ammonium indium phosphate (NH4)In(OH)PO4 Journal of Solid State Chemistry, 2002, 166, 362-368
9012277	CIF	S Tl2	R 3 :H	12.15; 12.15; 18.19 90; 90; 120	2325.5	Giester, G.; Lengauer, C. L.; Tillmanns, E.; Zemann, J. Tl2S: Re-determination of crystal structure and stereochemical discussion Journal of Solid State Chemistry, 2002, 168, 322-330
9012278	CIF	S Tl2	R 3 :H	12.15; 12.15; 18.19 90; 90; 120	2325.5	Giester, G.; Lengauer, C. L.; Tillmanns, E.; Zemann, J. Tl2S: Re-determination of crystal structure and stereochemical discussion Sample: hypothetical idealized structure Journal of Solid State Chemistry, 2002, 168, 322-330
9012279	CIF	Al F6 Li Na2	P 1 21/n 1	5.2842; 5.3698; 7.5063 90; 89.98; 90	212.992	Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R. The crystal structure of synthetic simmonsite, Na2LiAlF6 Journal of Solid State Chemistry, 2003, 172, 95-101
9012280	CIF	Al F6 Na3	P 1 21/n 1	5.4058; 5.5926; 7.7699 90; 90.195; 90	234.902	Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R. The crystal structure of synthetic simmonsite, Na2LiAlF6 Journal of Solid State Chemistry, 2003, 172, 95-101
9012281	CIF	Al F6 Na3	P 1 21/n 1	5.4054; 5.5934; 7.7672 90; 89.81; 90	234.837	Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R. The crystal structure of synthetic simmonsite, Na2LiAlF6 Journal of Solid State Chemistry, 2003, 172, 95-101
9012282	CIF	Ca3.906 Nd0.154 O14 Ta3.78 Zr0.16	P 31 2 1	7.356; 7.356; 18.116 90; 90; 120	848.939	Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L. Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 123 K, 3T weberite-type structure Journal of Solid State Chemistry, 2003, 174, 285-295
9012283	CIF	Ca7.676 Nd0.324 O28 Ta7.705 Zr0.295	C 1 2 1	12.761; 7.358; 24.565 90; 100.17; 90	2270.3	Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L. Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure Journal of Solid State Chemistry, 2003, 174, 285-295
9012284	CIF	Al F6 Na3	P 1 21/n 1	5.3956; 5.5821; 7.7568 90; 90.181; 90	233.624	Zhou, Q.; Kennedy, B. J. High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = room temperature Note: reported and calculated bond lengths disagree Journal of Solid State Chemistry, 2004, 177, 654-659
9012285	CIF	Al F6 Na3	F m -3 m	7.935; 7.935; 7.935 90; 90; 90	499.621	Zhou, Q.; Kennedy, B. J. High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = 600 C, ordered model Journal of Solid State Chemistry, 2004, 177, 654-659
9012286	CIF	Al F6 Na3	F m -3 m	7.935; 7.935; 7.935 90; 90; 90	499.621	Zhou, Q.; Kennedy, B. J. High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = 600 C, disordered model Journal of Solid State Chemistry, 2004, 177, 654-659
9012287	CIF	O4 Pb3	P -4 b 2	8.86; 8.86; 6.66 90; 90; 90	522.807	Gross, S. T. The crystal structure of Pb3O4 Journal of the American Chemical Society, 1943, 65, 1107-1110
9012288	CIF	B	P -4 n 2	8.73; 8.73; 5.03 90; 90; 90	383.351	Hoard, J. L.; Geller, S.; Hughes, R. E. On the structure of elementary boron Journal of the American Chemical Society, 1951, 73, 1892-1893
9012289	CIF	C	F d -3 m :1	3.56669; 3.56669; 3.56669 90; 90; 90	45.373	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012290	CIF	C	F d -3 m :1	3.56672; 3.56672; 3.56672 90; 90; 90	45.374	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012291	CIF	C	F d -3 m :1	3.56678; 3.56678; 3.56678 90; 90; 90	45.376	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012292	CIF	C	F d -3 m :1	3.56684; 3.56684; 3.56684 90; 90; 90	45.379	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012293	CIF	C	F d -3 m :1	3.5669; 3.5669; 3.5669 90; 90; 90	45.381	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012294	CIF	C	F d -3 m :1	3.5667; 3.5667; 3.5667 90; 90; 90	45.373	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012295	CIF	C	F d -3 m :1	3.56674; 3.56674; 3.56674 90; 90; 90	45.375	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012296	CIF	C	F d -3 m :1	3.56675; 3.56675; 3.56675 90; 90; 90	45.375	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012297	CIF	C	F d -3 m :1	3.56683; 3.56683; 3.56683 90; 90; 90	45.378	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012298	CIF	C	F d -3 m :1	3.56689; 3.56689; 3.56689 90; 90; 90	45.38	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012299	CIF	C	F d -3 m :1	3.5668; 3.5668; 3.5668 90; 90; 90	45.377	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012300	CIF	C	F d -3 m :1	3.5668; 3.5668; 3.5668 90; 90; 90	45.377	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012301	CIF	C	F d -3 m :1	3.56684; 3.56684; 3.56684 90; 90; 90	45.379	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012302	CIF	C	F d -3 m :1	3.56689; 3.56689; 3.56689 90; 90; 90	45.38	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012303	CIF	C	F d -3 m :1	3.567; 3.567; 3.567 90; 90; 90	45.385	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012305	CIF	C	F d -3 m :1	3.56678; 3.56678; 3.56678 90; 90; 90	45.376	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2 Journal of the American Chemical Society, 1951, 73, 5643-5646
9012309	CIF	B	P 42/n n m :1	8.74; 8.74; 5.068 90; 90; 90	387.132	Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: needle III Journal of the American Chemical Society, 1958, 80, 4507-4515
9012310	CIF	B	P 42/n n m :1	8.771; 8.771; 5.088 90; 90; 90	391.422	Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: plate Journal of the American Chemical Society, 1958, 80, 4507-4515
9012311	CIF	S6	R -3 :H	10.818; 10.818; 4.28 90; 90; 120	433.779	Donohue, J.; Caron, A.; Goldish, E. The crystal and molecular structure of S6 (sulfur-6) Locality: synthetic Journal of the American Chemical Society, 1961, 83, 3748-3751
9012312	CIF	As Cu0.5 H16 O10 U	P 42/n m c	7.1; 7.1; 17.7 90; 90; 90	892.257	Hanic, F. The crystal structure of meta-zeunerite Cu(UO2)2(AsO4)2*8H2O Czechoslovak Journal of Physics B, 1960, 10, 169-181
9012315	CIF	Bi F3	P -4 3 m	5.853; 5.853; 5.853 90; 90; 90	200.51	Hund, F.; Fricke, R. Der kristallbau von a-BiF3 Zeitschrift fur Anorganische und Allgemeine Chemie, 1949, 258, 198-204
9012316	CIF	H2 Ni O2	R -3 m :H	3.07; 3.07; 23.2 90; 90; 120	189.363	Glemser, O.; Einerhand, J. Die struktur hoherer nickelhydroxyde Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 43-51
9012317	CIF	H2 Ni O2	R -3 m :R	7.93; 7.93; 7.93 22.32; 22.32; 22.32	63.077	Glemser, O.; Einerhand, J. Die struktur hoherer nickelhydroxyde Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 43-51
9012318	CIF	H Ni O2	R -3 m :H	2.82; 2.82; 20.65 90; 90; 120	142.216	Glemser, O.; Einerhand, J. Die struktur hoherer nickelhydroxyde Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 43-51
9012319	CIF	H Ni O2	R -3 m :R	7.07; 7.07; 7.07 23; 23; 23	47.352	Glemser, O.; Einerhand, J. Die struktur hoherer nickelhydroxyde Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 43-51
9012321	CIF	In2 Mg S4	F d -3 m :1	10.687; 10.687; 10.687 90; 90; 90	1220.58	Hahn, H.; Klingler, W. Untersuchungen uber ternaere chalkogenide. I. Uber die kristallstruktur einiger ternarer sulfide, die sich vom In2S3 ableiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 263, 177-190
9012322	CIF	Ca In2 S4	F d -3 m :1	10.774; 10.774; 10.774 90; 90; 90	1250.64	Hahn, H.; Klingler, W. Untersuchungen uber ternare chalkogenide. I. Uber die kristallstruktur einiger ternaerer sulfide, die sich vom In2S3 ableiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 263, 177-190
9012323	CIF	Cd In2 S4	F d -3 m :1	10.797; 10.797; 10.797 90; 90; 90	1258.66	Hahn, H.; Klingler, W. Untersuchungen uber ternare chalkogenide. I. Uber die kristallstruktur einiger ternaerer sulfide, die sich vom In2S3 ableiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 263, 177-190
9012324	CIF	Hg In2 S4	F d -3 m :1	10.812; 10.812; 10.812 90; 90; 90	1263.92	Hahn, H.; Klingler, W. Untersuchungen uber ternaere chalkogenide. I. Uber die kristallstruktur einiger ternaerer sulfide, die sich vom In2S3 ableiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 263, 177-190
9012325	CIF	In2 Mn S4	F d -3 m :1	10.694; 10.694; 10.694 90; 90; 90	1222.98	Hahn, H.; Klingler, W. Untersuchungen uber ternare chalkogenide. I. Uber die kristallstruktur einiger ternaerer sulfide, die sich vom In2S3 ableiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 263, 177-190
9012326	CIF	Fe In2 S4	F d -3 m :1	10.598; 10.598; 10.598 90; 90; 90	1190.34	Hahn, H.; Klingler, W. Untersuchungen uber ternaere chalkogenide. I. Uber die kristallstruktur einiger ternaerer sulfide, die sich vom In2S3 ableiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 263, 177-190
9012327	CIF	Bi2 O3	P -4 b 2	7.74; 7.74; 5.63 90; 90; 90	337.28	Gattow, G.; Schutze, D. Uber Wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt (beta-modifikation) Note: transformed from C-42b Zeitschrift fur Anorganische und Allgemeine Chemie, 1964, 328, 44-68
9012328	CIF	Bi2 O3	C -4 2 b	10.95; 10.95; 5.63 90; 90; 90	675.051	Gattow, G.; Schutze, D. Uber Wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt (beta-modifikation) Zeitschrift fur Anorganische und Allgemeine Chemie, 1964, 328, 44-68
9012329	CIF	Fe O4 V2	F d -3 m :1	8.453; 8.453; 8.453 90; 90; 90	603.994	Reuter, B.; Riedel, E.; Hug, P.; Arndt, D.; Geisler, U.; Behnke, J. Zur kristallchemie der vanadin(III)-spinelle Zeitschrift fur Anorganische und Allgemeine Chemie, 1969, 369, 306-312
9012330	CIF	Cd O4 V2	F d -3 m :1	8.695; 8.695; 8.695 90; 90; 90	657.368	Reuter, B.; Riedel, E.; Hug, P.; Arndt, D.; Geisler, U.; Behnke, J. Zur kristallchemie der vanadin(III)-spinelle Zeitschrift fur Anorganische und Allgemeine Chemie, 1969, 369, 306-312
9012331	CIF	O4 V2 Zn	F d -3 m :1	8.409; 8.409; 8.409 90; 90; 90	594.611	Reuter, B.; Riedel, E.; Hug, P.; Arndt, D.; Geisler, U.; Behnke, J. Zur kristallchemie der vanadin(III)-spinelle Zeitschrift fur Anorganische und Allgemeine Chemie, 1969, 369, 306-312
9012332	CIF	Al Ca F6 Li	P -3 1 c	4.996; 4.996; 9.636 90; 90; 120	208.292	Viebahn, W. Untersuchungen an quaternaren fluoriden LiMeIIMeIIIF6 die struktur von LiCaAlF6 Zeitschrift fur Anorganische und Allgemeine Chemie, 1971, 386, 335-339
9012333	CIF	S18	P 21 21 21	21.152; 11.441; 7.581 90; 90; 90	1834.6	Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A. Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S18 Zeitschrift fur Anorganische und Allgemeine Chemie, 1974, 405, 153-162
9012334	CIF	S20	P b c n	18.58; 13.181; 8.6 90; 90; 90	2106.17	Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A. Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S20 Zeitschrift fur Anorganische und Allgemeine Chemie, 1974, 405, 153-162
9012335	CIF	As S	P 1 21/n 1	11.193; 9.994; 7.153 90; 92.8; 90	799.2	Kutoglu, A. Darstellung und kristallstruktur einer neuen isomeren form von As4S4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1976, 419, 176-184
9012336	CIF	As Co H3 O5	P -1	7.865; 15.699; 6.719 94.25; 96.89; 90.28	821.277	Zettler, F.; Riffel, H.; Hess, H.; Keller, P. Cobalthydrogenarsenat-monohydrat. Darstellung und kristallstruktur Zeitschrift fur Anorganische und Allgemeine Chemie, 1979, 454, 134-144
9012337	CIF	Al O4 V2	F d -3 m :1	8.192; 8.192; 8.192 90; 90; 90	549.756	Reuter, B.; Aust, R.; Colsmann, G.; Neuwald, C. Darstellung und eigenschaften vanadium(II)-haltiger und damit n-leitender vanadium(III)-spinelle Zeitschrift fur Anorganische und Allgemeine Chemie, 1983, 500, 188-198
9012338	CIF	Mg O4 V2	F d -3 m :1	8.42; 8.42; 8.42 90; 90; 90	596.948	Reuter, B.; Aust, R.; Colsmann, G.; Neuwald, C. Darstellung und eigenschaften vanadium(II)-haltiger und damit n-leitender vanadium(III)-spinelle Zeitschrift fur Anorganische und Allgemeine Chemie, 1983, 500, 188-198
9012339	CIF	H Na2 O4 P	P 1 21/m 1	5.451; 6.847; 5.473 90; 116.34; 90	183.061	Wiench, D. M.; Jansen, M. Kristallstruktur von wasserfreiem Na2HPO4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1983, 501, 95-101
9012340	CIF	As2 Fe	P n n m	5.3001; 5.9838; 2.8821 90; 90; 90	91.405	Lutz, H. D.; Jung, M.; Waschenbach, G. Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1987, 554, 87-91
9012341	CIF	Ru Te2	P a -3	6.391; 6.391; 6.391 90; 90; 90	261.04	Lutz, H. D.; Jung, M.; Waschenbach, G. Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1987, 554, 87-91
9012342	CIF	Cl Hg2 O	C 1 2/c 1	11.953; 5.904; 9.466 90; 105.59; 90	643.444	Brodersen, K.; Gobel, G.; Liehr, G. Terlinguait Hg4O2Cl2 - ein mineral mit ungewohnlichen Hg3-baueinheiten Zeitschrift fur Anorganische und Allgemeine Chemie, 1989, 575, 145-153
9012343	CIF	As O5 Sb	P 21 21 21	9.1607; 8.7524; 4.9035 90; 90; 90	393.153	Jansen, M.; Begemann, B.; Geb, J. Mischkristallbildung in den systemen As2O5/SbAsO5 und As2O5/AsPO5 bestimmung der spontanen deformationen und verfeinerung der kristallstrukturen der ternaren randphasen Zeitschrift fur Anorganische und Allgemeine Chemie, 1992, 610, 139-144
9012344	CIF	As O5 P	P 21 21 21	8.417; 8.171; 4.536 90; 90; 90	311.965	Jansen, M.; Begemann, B.; Geb, J. Mischkristallbildung in den Systemen As2O5/SbAsO5 und As2O5/AsPO5: bestimmung der spontanen deformationen und verfeinerung der kristallstrukturen der ternaren randphasen Zeitschrift fur Anorganische und Allgemeine Chemie, 1992, 610, 139-144
9012345	CIF	Bi2 Pt	P a -3	6.7014; 6.7014; 6.7014 90; 90; 90	300.952	Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404
9012346	CIF	As2 Pd	P a -3	5.979; 5.979; 5.979 90; 90; 90	213.74	Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404
9012347	CIF	Pd Sb2	P a -3	6.464; 6.464; 6.464 90; 90; 90	270.087	Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404
9012348	CIF	Pt Sb2	P a -3	6.4423; 6.4423; 6.4423 90; 90; 90	267.376	Brese, N. E.; von Schnering, H. G. Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404
9012349	CIF	F O10 Si3 Y3	P 1 21/n 1	7.3038; 11.1247; 10.3714 90; 97.235; 90	835.993	Schleid, T.; Muller-Bunz H Einkristalle von Y3F[Si3O10] im thalenit-typ Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1082-1084
9012350	CIF	Al3 D12 K0.875 O14.125 S2	R -3 m :H	6.943; 6.943; 17.227 90; 90; 120	719.175	Schukow, H.; Breitinger, D. K.; Zeiske, T.; Kubanek, F.; Mohr, J.; Schwab, R. G. Localization of hydrogen and content of oxonium cations in alunite via neutron diffraction Locality: synthetic Sample: T = 2 K Zeitschrift fur Anorganische und Allgemeine Chemie, 1999, 625, 1047-1050
9012352	CIF	Cl8 Cu5 H8 K2 O6	P 1 21/c 1	11.6424; 6.5639; 11.771 90; 91.09; 90	899.372	Kahlenberg, V. On the crystal structure of K2Cu5Cl8(OH)4*2H2O Zeitschrift fur Anorganische und Allgemeine Chemie, 2004, 630, 900-903
9012353	CIF	Be D2 O2	P 21 21 21	4.5356; 4.6317; 7.0379 90; 90; 90	147.849	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 245 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012354	CIF	Be D2 O2	P 21 21 21	4.526; 4.6318; 7.0192 90; 90; 90	147.147	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012355	CIF	Be D2 O2	P 21 21 21	4.5259; 4.6314; 7.0193 90; 90; 90	147.133	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012356	CIF	D2 O2 Zn	P 21 21 21	4.90855; 5.14641; 8.488 90; 90; 90	214.419	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 298 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012357	CIF	D2 O2 Zn	P 21 21 21	4.88877; 5.12854; 8.5029 90; 90; 90	213.187	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 120 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012358	CIF	D2 O2 Zn	P 21 21 21	4.88626; 5.12609; 8.5066 90; 90; 90	213.068	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012359	CIF	D2 O2 Zn	P 21 21 21	4.88564; 5.12565; 8.50702 90; 90; 90	213.033	Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254
9012360	CIF	H10 Mn O9 S	P -1	6.36; 10.77; 6.16 80.3; 110.1; 106	379.62	Caminiti, R.; Marongiu, G.; Paschina, G. A comparative X-ray diffraction study of aqueous MnSO4 and crystals of MnSO4*5H2O Locality: synthetic Zeitschrift fur Naturforschung A, 1982, 37, 581-586
9012361	CIF	S6	R -3 :H	10.766; 10.766; 4.225 90; 90; 120	424.098	Steidel, J.; Pickardt, J.; Steudel, R. Redetermination of the crystal and molecular structure of cyclohexasulfur, S6 Zeitschrift fur Naturforschung B, 1978, 33, 1554-1555
9012362	CIF	S10	C 1 2/c 1	12.533; 10.275; 12.776 90; 37.98; 90	1012.46	Steudel, R.; Steidel, J.; Reinhardt, R. X-ray structural analyses of cyclodecasulfur (S10) and of a cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10) Locality: synthetic Sample: at T = 163 K Zeitschrift fur Naturforschung B, 1983, 38, 1548-1556
9012363	CIF	S16	I 1 2/a 1	19.541; 9.431; 8.831 90; 105.11; 90	1571.21	Steudel, R.; Steidel, J.; Reinhardt, R. X-ray structural analyses of cyclodecasulfur (S10) and of a cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10) Locality: synthetic Sample: at T = 163 K Note: structure pertaining to mix of S6 and S10 Zeitschrift fur Naturforschung B, 1983, 38, 1548-1556
9012366	CIF	Co D14 O11 S	P 1 21/c 1	14.048; 6.4941; 10.925 90; 105.232; 90	961.665	Kellersohn, T.; Delaplane, R. G.; Olovsson, I. Disorder of a trigonally planar coordinated water molecule in cobalt sulfate heptahydrate, CoSO4*7D2O Zeitschrift fur Naturforschung B, 1991, 46, 1635-1640
9012367	CIF	Al5 H30 K3 O44 P8	R -3 c :H	8.69; 8.69; 82.27 90; 90; 120	5380.36	Dick, S.; Zeiske, T. Francoanellit K3Al5(HPO4)6(PO4)2*12H2O: struktur und synthese durch topochemische entwasserung von taranakit Zeitschrift fur Naturforschung B, 1998, 53, 711-719
9012368	CIF	Cl Hg3 O4 P	P 21 3	8.2912; 8.2912; 8.2912 90; 90; 90	569.97	Weil, M. Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster Zeitschrift fur Naturforschung B, 2001, 56, 753-758
9012369	CIF	As Cl Hg3 O4	P 21 3	8.3983; 8.3983; 8.3983 90; 90; 90	592.344	Weil, M. Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster Zeitschrift fur Naturforschung B, 2001, 56, 753-758
9012370	CIF	As Br Hg3 O4	P 21 3	8.4611; 8.4611; 8.4611 90; 90; 90	605.732	Weil, M. Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster Zeitschrift fur Naturforschung B, 2001, 56, 753-758
9012371	CIF	Cu4 H6 Mo2 O16 U	C 1 2/m 1	19.94; 6.116; 5.52 90; 104.18; 90	652.67	Pushcharovsky, D. Y.; Rastsvetaeva, R. K.; Sarp, H. Crystal structure of deloryite, Cu4(UO2)[Mo2O8](OH)6 Journal of Alloys and Compounds, 1996, 239, 23-26
9012372	CIF	Ca Mn2 O4	P b c m	3.1492; 9.98; 9.66 90; 90; 90	303.604	Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P. New model for the magnetic structure of the marokite-type oxide CaMn2O4 Sample: T = 280 K Journal of Alloys and Compounds, 2003, 353, 5-11
9012373	CIF	Ca Mn2 O4	P b c a	6.2545; 9.8995; 9.627 90; 90; 90	596.069	Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P. New model for the magnetic structure of the marokite-type oxide CaMn2O4 Note: reported bond lengths are inconsistent with reported structure Sample: T = 1.5 K Journal of Alloys and Compounds, 2003, 353, 5-11
9012374	CIF	In	I 4/m m m	4.5912; 4.5912; 4.9355 90; 90; 90	104.036	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: 99.9999% indium Journal of the Less-Common Metals, 1964, 7, 17-22
9012375	CIF	In	I 4/m m m	4.5899; 4.5899; 4.9379 90; 90; 90	104.028	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: 99.999% indium Journal of the Less-Common Metals, 1964, 7, 17-22
9012376	CIF	In	I 4/m m m	4.5902; 4.5902; 4.9379 90; 90; 90	104.041	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: 99.97% indium Journal of the Less-Common Metals, 1964, 7, 17-22
9012377	CIF	In	I 4/m m m	4.5903; 4.5903; 4.9357 90; 90; 90	103.999	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .1 atomic % thallium Journal of the Less-Common Metals, 1964, 7, 17-22
9012378	CIF	In	I 4/m m m	4.5914; 4.5914; 4.9328 90; 90; 90	103.988	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .2 atomic % cadmium Journal of the Less-Common Metals, 1964, 7, 17-22
9012379	CIF	In	I 4/m m m	4.5895; 4.5895; 4.9378 90; 90; 90	104.007	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .2 atomic % tin Journal of the Less-Common Metals, 1964, 7, 17-22
9012380	CIF	In	I 4/m m m	4.5902; 4.5902; 4.939 90; 90; 90	104.064	Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .2 atomic % lead Journal of the Less-Common Metals, 1964, 7, 17-22
9012381	CIF	As Pd2	C m c 21	3.245; 16.844; 6.576 90; 90; 90	359.436	Balz, U.; Schubert, K. Kristallstruktur von Pd2As(r) und Pd2Sb Journal of the Less-Common Metals, 1969, 19, 300-304
9012382	CIF	Pd5 Sb2	P 63 c m	7.606; 7.606; 13.863 90; 90; 120	694.545	El-Boragy M; Bhan, S.; Schubert, K. Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten Journal of the Less-Common Metals, 1970, 22, 445-458
9012383	CIF	As2 Ni5	P 63 c m	6.825; 6.825; 12.513 90; 90; 120	504.774	El-Boragy M; Bhan, S.; Schubert, K. Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten Journal of the Less-Common Metals, 1970, 22, 445-458
9012384	CIF	As2 Cu5	I b a m	5.977; 11.577; 5.491 90; 90; 90	379.954	Liebisch, W.; Schubert, K. Zur struktur der mischung kupfer-arsen Journal of the Less-Common Metals, 1971, 23, 231-236
9012385	CIF	Y	F m -3 m	5.83; 5.83; 5.83 90; 90; 90	198.155	Kaul, V. K.; Srivastava, O. N. A new fcc phase in yttrium films Journal of the Less-Common Metals, 1976, 44, 137-140
9012386	CIF	Pd20 Sb7	R -3 :H	11.734; 11.734; 11.021 90; 90; 120	1314.15	Wopersnow, W.; Schubert, K. Kristallstrukturen von Pd20Sb7 und Pd20Te7 Note: isotypic with keithconnite Journal of the Less-Common Metals, 1977, 51, 35-44
9012387	CIF	Pt5 Se4	P 1 21/c 1	6.577; 4.61; 11.122 90; 101.59; 90	330.343	Matkovic, P.; Schubert, K. Kristallstruktur von Pt5Se4 Journal of the Less-Common Metals, 1977, 55, 185-190
9012388	CIF	Pd9 Te4	P 1 21/c 1	7.458; 13.938; 8.839 90; 91.97; 90	918.267	Matkovic, P.; Schubert, K. Kristallstruktur von Pd9Te4 Journal of the Less-Common Metals, 1978, 58, P39-P46
9012389	CIF	Bi Pb Pd2	C c m 21	7.15; 8.681; 10.535 90; 90; 90	653.898	Mayer, H. W.; Bhatt, Y. C.; Schubert, K. Kristallstrukturen von Pd2PbBi und Pd4PbBi3 Journal of the Less-Common Metals, 1979, 66, 1-9
9012390	CIF	Bi Pb Pd2	C 1 m 1	7.171; 8.677; 5.575 90; 71.74; 90	329.424	Mayer, H. W.; Bhatt, Y. C.; Schubert, K. Kristallstrukturen von Pd2PbBi und Pd4PbBi3 Journal of the Less-Common Metals, 1979, 66, 1-9
9012391	CIF	As3.5 Rh6	P 63/m	9.297; 9.297; 3.657 90; 90; 120	273.742	Pivan, J. Y.; Guerin, R.; Sergent, M. Rh12As7, a host structure for rare earth elements: Crystal structures of Rh12As7 and Ho2Rh12As7 Locality: synthetic Note: x(RhII) corrected Journal of the Less-Common Metals, 1985, 107, 249-258
9012392	CIF	Cu2 S2 Tl	I 4/m m m	3.7771; 3.7771; 13.3791 90; 90; 90	190.873	Berger, R. Synthesis and characterization of the layered metal TlCu2S2 Journal of the Less-Common Metals, 1989, 147, 141-148
9012393	CIF	As3.5 Ho Rh6	P 63/m	9.892; 9.892; 3.859 90; 90; 120	327.019	Pivan, J. Y.; Guerin, R.; Sergent, M. Rh12As7, a host structure for rare earth elements: Crystal structures of Rh12As7 and Ho2Rh12As7 Journal of the Less-Common Metals, 1985, 107, 249-258
9012394	CIF	As3.5 Rh6	P 63/m	9.315; 9.315; 3.659 90; 90; 120	274.953	Lambert-Andron B; Dhahri, E.; Chaudouet, P.; Madar, R. Crystal structure of Rh12As7 Journal of the Less-Common Metals, 1985, 108, 353-358
9012395	CIF	Ca3 O12 Te2 Zn3	I a -3 d	12.632; 12.632; 12.632 90; 90; 90	2015.66	Jarosch, D.; Zemann, J. Yafsoanite: a garnet type calcium-tellurium(VI)-zinc oxide Mineralogy and Petrology, 1989, 40, 111-116
9012396	CIF	Be1.694 Ca1.9 Fe2.449 H2 K0.072 Mg2.551 Na0.1 O24 Pb0.928 Si6.306	P 1 2/a 1	9.915; 17.951; 5.243 90; 105.95; 90	897.246	Moore, P. B.; Davis, A. M.; Van Derveer, D. G.; Sen Gutpa, P. K. Joesmithite, a plumbous amphibole revisited and comments on bond valences Mineralogy and Petrology, 1993, 48, 97-113
9012398	CIF	Ca13 F10 H12 O34 Si10	R -3 :H	9.377; 9.377; 36.57 90; 90; 120	2784.73	Mikenda, W.; Pertlik, F.; Povondra, P.; Ulrych, J. On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations Locality: Alter Berg, Radzein Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths Mineralogy and Petrology, 1997, 61, 199-209
9012399	CIF	Cd Cu4 H14 O18 S2	P 1 21/m 1	5.543; 21.995; 6.079 90; 92.04; 90	740.672	Giester, G.; Rieck, B.; Brandstatter, F. Niedermayrite, Cu4Cd(SO4)2(OH)6*4H2O, a new mineral from the Lavrion Mining District, Greece Locality: Lavrion mining district, Attica peninsula, Greece Mineralogy and Petrology, 1998, 63, 19-34
9012400	CIF	Ba Ca0.3 Fe3.7 H3 O15 P3	P 1 21/m 1	9.2; 12.369; 5.003 90; 100.21; 90	560.3	Kolitsch, U.; Pring, A.; Tiekink, E. R. T. Johntomaite, a new member of the bjarebyite group of barium phosphates: description and structure refinement Locality: Spring Creek copper mine, southern Flinders Ranges, South Australia Mineralogy and Petrology, 2000, 70, 1-14
9012401	CIF	C H6 Mg O6	P 1 21/n 1	7.701; 5.365; 12.126 90; 90.41; 90	500.983	Giester, G.; Lengauer, C. L.; Rieck, B. The crystal structure of nesquehonite, MgCO3*3H2O, from Lavrion, Greece Mineralogy and Petrology, 2000, 70, 153-163
9012402	CIF	As4 Cu10 H22 O34 S	C 1 2/c 1	21.77; 12.327; 10.72 90; 92.85; 90	2873.25	Lengauer, C. L.; Giester, G.; Kirchner, E. Leogangite, Cu10(AsO4)4(SO4)(OH)6*8H2O, a new mineral from the Leogang mining district, Salzburg province, Austria Locality: Leogang polymetallic ore district, Salzburg province, Austria Mineralogy and Petrology, 2004, 81, 187-201
9012403	CIF	Bi Fe S4 Sb	P n a m	11.413; 14.164; 3.759 90; 90; 90	607.656	Bindi, L.; Menchetti, S. Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany: composition, physical properties and determination of the crystal structure Locality: Caspari mine, North Rhine-Westphalia, Germany Mineralogy and Petrology, 2005, 85, 131-139
9012404	CIF	Kr	P 63/m m c	4; 4; 6.53 90; 90; 120	90.482	Sonnenblick, Y.; Alexander, E.; Kalman, Z. H.; Steinberger, I. T. Hexagonal close packed krypton and xenon Sample: at T = 26 K Chemical Physics Letters, 1977, 52, 276-278
9012405	CIF	Xe	P 63/m m c	4.34; 4.34; 7.09 90; 90; 120	115.653	Sonnenblick, Y.; Alexander, E.; Kalman, Z. H.; Steinberger, I. T. Hexagonal close packed krypton and xenon Sample: at T = 26 K Chemical Physics Letters, 1977, 52, 276-278
9012406	CIF	Ru Se2	P a -3	5.935; 5.935; 5.935 90; 90; 90	209.056	Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163
9012407	CIF	Os Se2	P a -3	5.946; 5.946; 5.946 90; 90; 90	210.22	Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163
9012408	CIF	As2 Pt	P a -3	5.9665; 5.9665; 5.9665 90; 90; 90	212.402	Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163
9012409	CIF	As2 Pt	P a -3	5.968; 5.968; 5.968 90; 90; 90	212.562	Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163
9012410	CIF	As2 Ni	P b c a	5.77; 5.838; 11.419 90; 90; 90	384.652	Stassen, W. N.; Heyding, R. D. Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 Canadian Journal of Chemistry, 1968, 46, 2159-2163
9012411	CIF	B F4 K	P b n m	7.032; 8.674; 5.496 90; 90; 90	335.232	Clark, M. J. R.; Lynton, H. Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates Locality: synthetic Canadian Journal of Chemistry, 1969, 47, 2579-2586
9012412	CIF	B F4 N	P b n m	7.278; 9.072; 5.678 90; 90; 90	374.896	Clark, M. J. R.; Lynton, H. Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates Canadian Journal of Chemistry, 1969, 47, 2579-2586
9012413	CIF	B F4 Rb	P b n m	7.296; 9.108; 5.636 90; 90; 90	374.523	Clark, M. J. R.; Lynton, H. Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates Canadian Journal of Chemistry, 1969, 47, 2579-2586
9012414	CIF	B Cs F4	P b n m	7.647; 9.675; 5.885 90; 90; 90	435.4	Clark, M. J. R.; Lynton, H. Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates Canadian Journal of Chemistry, 1969, 47, 2579-2586
9012415	CIF	Ca9 H Mg O28 P7	R 3 c :H	10.35; 10.35; 37.085 90; 90; 120	3440.41	Gopal, R.; Calvo, C.; Ito, J.; Sabine, W. K. Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14 Canadian Journal of Chemistry, 1974, 52, 1155-1164
9012416	CIF	Al2 Ca H8.606 O12.303 Si2	P 1 21/c 1	10.011; 10.614; 9.853 90; 93.11; 90	1045.41	Artioli, G.; Rinaldi, R.; Kvick, A.; Smith, J. V. Neutron diffraction structure refinement of the zeolite gismondine at 15 K Sample: T = 15 K Zeolites, 1986, 6, 361-366
9012417	CIF	Al2 Ca H8 O12 Si2	P 1 21 1	9.989; 10.616; 9.82 90; 92.57; 90	1040.3	Vezzalini, G.; Quartieri, S.; Alberti, A. Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 1 hr Zeolites, 1993, 13, 34-42
9012418	CIF	Al2 Ca H4 O10 Si2	P 21 21 21	13.902; 8.892; 13.952 90; 90; 90	1724.7	Vezzalini, G.; Quartieri, S.; Alberti, A. Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 24 hr Zeolites, 1993, 13, 34-42
9012419	CIF	Al2.808 Ca0.685 H44.28 Na0.444 O56.971 Si21.192	P n m a	20.201; 19.991; 13.469 90; 90; 90	5439.3	Vezzalini, G.; Quartieri, S.; Galli, E.; Alberti, A.; Cruciani, G.; Kvick, A. Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 Note: reported occupancies do not match reported chemistry Zeolites, 1997, 19, 323-325
9012420	CIF	Bi2 S Te2	R -3 m :R	10.31; 10.31; 10.31 24.17; 24.17; 24.17	161.469	Lange, P. W. Ein Vergleich zwischen Bi2Te3 und Bi2Te2S Naturwissenschaften, 1939, 27, 133-134
9012421	CIF	Ca0.3 Mg0.02 Mn0.56 O5 Te2 Zn0.12	P 42/n b c :2	8.82; 8.82; 13.04 90; 90; 90	1014.41	Walitzi, E. M. Die kristallstruktur von denningit, (Mn,Ca,Zn)Te2O5 Naturwissenschaften, 1964, 51, 334-335
9012422	CIF	O S2 Sb2	F -1	20.971; 8.16; 20.378 90; 101.5; 90	3417.15	Kupcik, V. Die kristallstruktur des kermesits, Sb2S2O Naturwissenschaften, 1967, 54, 114-114
9012423	CIF	As2 Ca2 H4 Mn O10	P 1 21/c 1	5.65; 12.8; 5.65 90; 80.5; 90	403.004	Dahlman, B. The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O Locality: Harstigen mine, Sweden Arkiv for Mineralogi och Geologi, 1952, 1, 339-366
9012424	CIF	Cu H4 Na2 O10 S2	P 1 21/c 1	5.78; 12.58; 5.48 90; 71.5; 90	377.873	Dahlman, B. The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O Locality: Chuquicamata, Chile Arkiv for Mineralogi och Geologi, 1952, 1, 339-366
9012425	CIF	Bi Cl O2 Pb	B m m b	5.627; 5.575; 12.425 90; 90; 90	389.779	Gillberg, M. Perite, a new oxyhalide mineral from Langban, Sweden Arkiv for Mineralogi och Geologi, 1960, 2, 565-570
9012427	CIF	Ni	F m -3 m	3.5168; 3.5168; 3.5168 90; 90; 90	43.495	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: latice parameter is average of four samples Journal of Chemical Physics, 1935, 3, 605-616
9012428	CIF	Al	F m -3 m	4.0413; 4.0413; 4.0413 90; 90; 90	66.003	Jette, E. R.; Foote, F. Precision determination of lattice constants Locality: synthetic Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics, 1935, 3, 605-616
9012430	CIF	Au	F m -3 m	4.0704; 4.0704; 4.0704 90; 90; 90	67.439	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample Journal of Chemical Physics, 1935, 3, 605-616
9012431	CIF	Ag	F m -3 m	4.0778; 4.0778; 4.0778 90; 90; 90	67.808	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample Journal of Chemical Physics, 1935, 3, 605-616
9012432	CIF	Mo	I m -3 m	3.141; 3.141; 3.141 90; 90; 90	30.989	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics, 1935, 3, 605-616
9012433	CIF	W	I m -3 m	3.1583; 3.1583; 3.1583 90; 90; 90	31.504	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: sample 1 Journal of Chemical Physics, 1935, 3, 605-616
9012434	CIF	Mg	P 63/m m c	3.203; 3.203; 5.2002 90; 90; 120	46.202	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of four samples Journal of Chemical Physics, 1935, 3, 605-616
9012435	CIF	Zn	P 63/m m c	2.6594; 2.6594; 4.9368 90; 90; 120	30.237	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples Journal of Chemical Physics, 1935, 3, 605-616
9012436	CIF	Cd	P 63/m m c	2.9731; 2.9731; 5.6069 90; 90; 120	42.921	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics, 1935, 3, 605-616
9012437	CIF	Bi	P 63/m m c	4.5372; 4.5372; 11.8381 90; 90; 120	211.052	Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples Journal of Chemical Physics, 1935, 3, 605-616
9012438	CIF	Cu Fe2 O4	F d -3 m :1	8.37; 8.37; 8.37 90; 90; 90	586.376	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012439	CIF	Cr2 Mg O4	F d -3 m :1	8.312; 8.312; 8.312 90; 90; 90	574.271	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012440	CIF	Cd Cr2 O4	F d -3 m :1	8.567; 8.567; 8.567 90; 90; 90	628.762	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012441	CIF	Fe2 O4 Zn	F d -3 m :1	8.416; 8.416; 8.416 90; 90; 90	596.097	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012442	CIF	Cu0.5 Fe2 O4 Zn0.5	F d -3 m :1	8.388; 8.388; 8.388 90; 90; 90	590.167	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012443	CIF	Cu0.4 Fe2 O4 Zn0.6	F d -3 m :1	8.402; 8.402; 8.402 90; 90; 90	593.127	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012444	CIF	O4 Ti Zn2	F d -3 m :1	8.445; 8.445; 8.445 90; 90; 90	602.281	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012445	CIF	Cr2 Ni O4	F d -3 m :1	8.299; 8.299; 8.299 90; 90; 90	571.58	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012446	CIF	Al Fe2 O4	F d -3 m :1	8.273; 8.273; 8.273 90; 90; 90	566.225	Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics, 1947, 15, 174-180
9012447	CIF	Li	I m -3 m	3.5107; 3.5107; 3.5107 90; 90; 90	43.269	Covington, E. J.; Montgomery, D. J. Sample: at T = 20 C Note: Li6 isotope Journal of Chemical Physics, 1957, 27, 1030-1032
9012448	CIF	Li	I m -3 m	3.5092; 3.5092; 3.5092 90; 90; 90	43.214	Covington, E. J.; Montgomery, D. J. Sample: at T = 20 C Note: Li7 isotope Journal of Chemical Physics, 1957, 27, 1030-1032
9012449	CIF	Xe	F m -3 m	6.1317; 6.1317; 6.1317 90; 90; 90	230.538	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Journal of Chemical Physics, 1962, 37, 3002-3006
9012450	CIF	Xe	F m -3 m	6.1318; 6.1318; 6.1318 90; 90; 90	230.549	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 5 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012451	CIF	Xe	F m -3 m	6.1325; 6.1325; 6.1325 90; 90; 90	230.628	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 10 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012452	CIF	Xe	F m -3 m	6.134; 6.134; 6.134 90; 90; 90	230.798	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 15 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012453	CIF	Xe	F m -3 m	6.1364; 6.1364; 6.1364 90; 90; 90	231.069	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 20 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012454	CIF	Xe	F m -3 m	6.1397; 6.1397; 6.1397 90; 90; 90	231.442	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 25 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012455	CIF	Xe	F m -3 m	6.1349; 6.1349; 6.1349 90; 90; 90	230.899	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 30 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012456	CIF	Xe	F m -3 m	6.1488; 6.1488; 6.1488 90; 90; 90	232.472	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 35 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012457	CIF	Xe	F m -3 m	6.1542; 6.1542; 6.1542 90; 90; 90	233.085	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 40 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012458	CIF	Xe	F m -3 m	6.1599; 6.1599; 6.1599 90; 90; 90	233.734	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 45 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012459	CIF	Xe	F m -3 m	6.166; 6.166; 6.166 90; 90; 90	234.429	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 50 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012460	CIF	Xe	F m -3 m	6.1727; 6.1727; 6.1727 90; 90; 90	235.194	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 55 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012461	CIF	Xe	F m -3 m	6.1796; 6.1796; 6.1796 90; 90; 90	235.983	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 60 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012462	CIF	Xe	F m -3 m	6.1869; 6.1869; 6.1869 90; 90; 90	236.82	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 65 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012463	CIF	Xe	F m -3 m	6.1945; 6.1945; 6.1945 90; 90; 90	237.694	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 70 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012464	CIF	Xe	F m -3 m	6.2023; 6.2023; 6.2023 90; 90; 90	238.593	Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 75 K Journal of Chemical Physics, 1962, 37, 3002-3006
9012465	CIF	F	P m -3 n	6.67; 6.67; 6.67 90; 90; 90	296.741	Jordan, T. H.; Streib, W. E.; Lipscomb, W. N. Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K Journal of Chemical Physics, 1964, 41, 760-764
9012466	CIF	Cl2 Fe H4 O2	C 1 2/m 1	7.355; 8.548; 3.637 90; 98.18; 90	226.334	Morosin, B.; Graeber, E. J. Crystal structures of manganese(II) and iron(II) chloride dihydrate Journal of Chemical Physics, 1965, 42, 898-901
9012467	CIF	Cl2 H4 Mn O2	C 1 2/m 1	7.409; 8.8; 3.691 90; 98.67; 90	237.9	Morosin, B.; Graeber, E. J. Crystal structures of manganese(II) and iron(II) chloride dihydrate Journal of Chemical Physics, 1965, 42, 898-901
9012468	CIF	C6.2 H46 O26	P m -3 n	12.03; 12.03; 12.03 90; 90; 90	1740.99	McMullan, R. K.; Jeffery, G. A. Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate Sample: T = -25 C, 6.4C2H4O*46H2O Journal of Chemical Physics, 1965, 42, 2725-2732
9012469	CIF	F6 N2 Si	P -3 m 1	5.784; 5.784; 4.796 90; 90; 120	138.953	Schlemper, E. O.; Hamilton, W. C. On the structure of trigonal ammonium fluorosilicate Journal of Chemical Physics, 1966, 45, 408-409
9012470	CIF	C	P 63/m m c	2.52; 2.52; 4.12 90; 90; 120	22.658	Bundy, F. P.; Kasper, J. S. Hexagonal diamond-a new form of carbon Journal of Chemical Physics, 1967, 46, 3437-3446
9012471	CIF	F2	C 1 2/m 1	5.5; 3.28; 10.01 90; 134.66; 90	128.445	Meyer, L.; Barrett, C. S.; Greer, S. C. Crystal structure of alpha-fluorine Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K Journal of Chemical Physics, 1968, 49, 1902-1907
9012472	CIF	Cl2 H12 Ni O6	C 1 2/m 1	10.23; 7.05; 6.57 90; 122.17; 90	401.091	Kleinberg, R. Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, X-ray data Journal of Chemical Physics, 1969, 50, 4690-4696
9012473	CIF	Cl2 H12 Ni O6	C 1 2/m 1	10.24; 7.04; 6.58 90; 122.23; 90	401.259	Kleinberg, R. Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, neutron data Journal of Chemical Physics, 1969, 50, 4690-4696
9012474	CIF	Cl2 H12 Ni O6	C 1 2/m 1	10.2; 7.05; 6.5 90; 122.53; 90	394.082	Kleinberg, R. Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = 4.2 K, neutron data Journal of Chemical Physics, 1969, 50, 4690-4696
9012475	CIF	N2	P 42/m n m	3.957; 3.957; 5.109 90; 90; 90	79.996	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20.5 K and P = .4068 GPa Note: gamma phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012476	CIF	N2	P 63/m m c	4.05; 4.05; 6.604 90; 90; 120	93.81	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46 K Note: beta phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012477	CIF	N2	P 63/m m c	3.967; 3.967; 6.496 90; 90; 120	88.532	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46.5 K and P = .1484 GPa Note: beta phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012478	CIF	N2	P 63/m m c	3.924; 3.924; 6.356 90; 90; 120	84.756	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .2818 GPa Note: beta phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012479	CIF	N2	P 63/m m c	3.861; 3.861; 6.265 90; 90; 120	80.882	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .4180 GPa Note: beta phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012480	CIF	N	P 21 3	5.649; 5.649; 5.649 90; 90; 90	180.266	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K Note: alpha phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012481	CIF	N	P 21 3	5.495; 5.495; 5.495 90; 90; 90	165.922	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K and P = .2690 GPa Note: alpha phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012482	CIF	N	P 21 3	5.433; 5.433; 5.433 90; 90; 90	160.369	Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 19.6 K and P = .3835 GPa Note: alpha phase Journal of Chemical Physics, 1970, 52, 6000-6008
9012483	CIF	Ga	I 4/m m m	2.813; 2.813; 4.452 90; 90; 90	35.229	Bosio, L. Crystal structures of Ga(II) and Ga(III) Sample: at P = 2.8 GPa, T = 298 K Note: structure known as Ga(III) phase Journal of Chemical Physics, 1978, 68, 1221-1223
9012484	CIF	Ga	I -4 3 d	5.951; 5.951; 5.951 90; 90; 90	210.751	Bosio, L. Crystal structures of Ga(II) and Ga(III) Loclailty: synthetic Sample: at P = 2.6 GPa, T = 313 K Note: structure known as Ga(II) phase Journal of Chemical Physics, 1978, 68, 1221-1223
9012485	CIF	Ga	C m c m	2.9; 8.13; 3.17 90; 90; 90	74.739	Curien, H.; Rimsky, A.; Defrain, A. Structure atomique d'une phase cristalline du gallium, instable a la pression atmospherique Locality: synthetic Sample: at T = 256.85 K Bulletin de la Societe Francaise de Mineralogie et de Cristallographie, 1961, 84, 260-264
9012486	CIF	P	C m c e	3.3133; 10.473; 4.374 90; 90; 90	151.779	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012487	CIF	P	C m c e	3.3121; 10.408; 4.35 90; 90; 90	149.955	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012488	CIF	P	C m c e	3.3105; 10.363; 4.335 90; 90; 90	148.72	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012489	CIF	P	C m c e	3.3109; 10.319; 4.317 90; 90; 90	147.491	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012490	CIF	P	C m c e	3.3109; 10.209; 4.302 90; 90; 90	145.412	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012491	CIF	P	C m c e	3.3116; 10.26; 4.289 90; 90; 90	145.727	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012492	CIF	P	C m c e	3.3114; 10.233; 4.278 90; 90; 90	144.962	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012493	CIF	P	C m c e	3.3111; 10.215; 4.266 90; 90; 90	144.288	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.93 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012494	CIF	P	C m c e	3.3114; 10.189; 4.254 90; 90; 90	143.529	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.16 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012495	CIF	P	C m c e	3.3117; 10.158; 4.243 90; 90; 90	142.736	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.43 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012496	CIF	P	C m c e	3.312; 10.14; 4.229 90; 90; 90	142.025	Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.66 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics, 1979, 71, 1718-1721
9012497	CIF	Ce O4 Si	I 41/a m d :2	6.9564; 6.9564; 6.1953 90; 90; 90	299.8	Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P. The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2 Powder Diffraction, 2000, 15, 234-238
9012498	CIF	Ca1.011 Ce3.989 O13 Si3	P 63/m	9.4343; 9.4343; 6.8885 90; 90; 120	530.976	Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P. The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2 Powder Diffraction, 2000, 15, 234-238
9012499	CIF	P	C m c e	3.3199; 10.3678; 4.3154 90; 90; 90	148.536	Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S. Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K Powder Diffraction, 2003, 18, 155-158
9012500	CIF	Li3 O4 P	P m n 21	6.115; 5.2394; 4.8554 90; 90; 90	155.562	Keffer, C.; Mighell, A. D.; Mauer, F.; Swanson, H.; Block, S. The crystal structure of twinned low-temperature lithium phosphate Note: dimorphic with lithiophosphate Inorganic Chemistry, 1967, 6, 119-125
9012501	CIF	Se	P 31 2 1	4.3662; 4.3662; 4.9536 90; 90; 120	81.782	Cherin, P.; Unger, P. The crystal structure of trigonal selenium Inorganic Chemistry, 1967, 6, 1589-1591
9012502	CIF	As2 Ni	P a -3	5.77; 5.77; 5.77 90; 90; 90	192.1	Munson, R. A. The synthesis of iridium disulfide and nickel diarsenide having the pyrite structure Locality: synthetic Inorganic Chemistry, 1968, 7, 389-390
9012503	CIF	Ni P2	P a -3	5.4706; 5.4706; 5.4706 90; 90; 90	163.721	Donohue, P. C.; Bither, T. A.; Young, H. S. High-pressure synthesis of pyrite-type nickel diphosphide and nickel diarsenide Locality: synthetic Inorganic Chemistry, 1968, 7, 998-1001
9012504	CIF	C3 H16 La2 O17	P c c n	8.984; 9.58; 17 90; 90; 90	1463.13	Shinn, D. B.; Eick, H. A. The crystal structure of lanthanum carbonate octahydrate Inorganic Chemistry, 1968, 7, 1340-1345
9012505	CIF	Ca2 Fe3 H6 O17 P3	A 1 a 1	17.553; 19.354; 11.248 90; 95.84; 90	3801.35	Moore, P. B.; Araki, T. Mitridatite, Ca6(H2O)6[FeIII9O6(PO4)9]*3H2O. A noteworthy octahedral sheet structure Inorganic Chemistry, 1977, 16, 1096-1106
9012506	CIF	C14 Cl2 N2 Zn	C 1 2/c 1	9.115; 11.942; 14.428 90; 90.77; 90	1570.36	Marsh, R. E.; Schomaker, V. Some incorrect space groups in Inorganic Chemistry, Volume 16 Inorganic Chemistry, 1979, 18, 2331-2336
9012507	CIF	As Mg0.92 Mn4.08 O12 Sb Si	A 1 2/a 1	10.048; 19.418; 9.735 90; 95.83; 90	1889.59	Marsh, R. E.; Schomaker, V. Some incorrect space groups in Inorganic Chemistry, Volume 16 Inorganic Chemistry, 1979, 18, 2331-2336
9012508	CIF	C6 Cd N5 S2	P -1	12.46; 9.07; 7.52 121.8; 123.4; 83.9	582.41	Marsh, R. E.; Schomaker, V. Some incorrect space groups in Inorganic Chemistry, Volume 16 Inorganic Chemistry, 1979, 18, 2331-2336
9012509	CIF	C3 H6 Ca O6	C 1 2/m 1	13.955; 6.855; 6.835 90; 106.28; 90	627.629	Marsh, R. E.; Schomaker, V. Some incorrect space groups in Inorganic Chemistry, Volume 16 Inorganic Chemistry, 1979, 18, 2331-2336
9012510	CIF	H Mo Na O5 Zn	P n a m	7.85; 9.292; 6.148 90; 90; 90	448.449	Marsh, R. E.; Schomaker, V. Some incorrect space groups in Inorganic Chemistry, Volume 16 Inorganic Chemistry, 1979, 18, 2331-2336
9012511	CIF	C4 H4 Cu Na2 O10	P -1	7.536; 9.473; 3.576 81.9; 103.77; 108.09	235.071	Gleizes, A.; Maury, F.; Galy, J. Crystal structure and magnetism of solum bis(oxalato)cuprate(II) dihydrate, Na2Cu(C2O4)2*2H2O. A deductive proposal for the structure of copper oxalate, CuC2O4*xH2O (0 < x < 1) Inorganic Chemistry, 1980, 19, 2074-2078
9012512	CIF	Fe O4 P	P 31 2 1	5.036; 5.036; 11.255 90; 90; 120	247.199	Long, G. J.; Cheetham, A. K.; Battle, P. D. Study of the iron-phosphorus-oxygen system by Mossbauer effect, neutron diffraction, magnetic susceptibility, and analytical electron microscopy: some pitfalls and solutions in the analysis of a complex mixture Inorganic Chemistry, 1983, 22, 3012-3016
9012513	CIF	Fe5 H6 O20 P4	C 1 2/c 1	17.492; 9.038; 9.349 90; 96.23; 90	1469.28	Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K. Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD Inorganic Chemistry, 1986, 25, 2279-2280
9012514	CIF	Fe3 Na O12 P3	C 1 2/c 1	11.998; 12.328; 6.5 90; 114.185; 90	877.037	Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K. Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD Inorganic Chemistry, 1986, 25, 2279-2280
9012515	CIF	H2 Mn O5 P	C 1 2/c 1	6.912; 7.47; 7.357 90; 112.3; 90	351.451	Lightfoot, P.; Cheetham, A. K.; Sleight, A. W. Structure of MnPO4*H2O by synchrotron X-ray powder diffraction Inorganic Chemistry, 1987, 26, 3544-3547
9012516	CIF	O2 Sb	P n a 21	5.434; 4.8091; 11.779 90; 90; 90	307.816	Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C Diantimony tetraoxides revisited Note: displacement parameters from ICSD Inorganic Chemistry, 1988, 27, 1367-1370
9012517	CIF	O2 Sb	C 1 2/c 1	12.057; 4.8352; 5.384 90; 104.56; 90	303.796	Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C Diantimony tetraoxides revisited Note: displacement parameters from ICSD Inorganic Chemistry, 1988, 27, 1367-1370
9012518	CIF	Co O14 P2 V2	I 4/m m m	6.264; 6.264; 13.428 90; 90; 90	526.884	Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748
9012519	CIF	Ca H8 O14 P2 V2	P 1	6.3484; 6.35; 6.597 106.81; 94.09; 90.02	253.867	Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748
9012520	CIF	H8 O14 P2 Sr V2	C 1 c 1	9.026; 9.01; 12.841 90; 100.19; 90	1027.81	Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748
9012521	CIF	H6 O14 P2 Pb V2	C 1 c 1	9.03; 9.021; 12.874 90; 100.16; 90	1032.27	Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748
9012522	CIF	As Be2 H9 O9	P 1 21/a 1	7.2349; 12.686; 8.6548 90; 98.439; 90	785.754	Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D. Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O Inorganic Chemistry, 1993, 32, 2437-2441
9012523	CIF	H15 Na2 O12 P Zn	P 1 21/a 1	6.4212; 21.612; 8.6813 90; 109.899; 90	1132.82	Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D. Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O Inorganic Chemistry, 1993, 32, 2437-2441
9012524	CIF	D6 Mn N O5 P	P m n 21	5.7173; 8.8312; 4.8774 90; 90; 90	246.263	Carling, S. G.; Day, P.; Visser, D. Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 1.6 K Note: atomic positions from ICSD Inorganic Chemistry, 1995, 34, 3917-3927
9012525	CIF	D6 Mn N O5 P	P m n 21	5.7142; 8.8255; 4.8762 90; 90; 90	245.91	Carling, S. G.; Day, P.; Visser, D. Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 21.4 K Note: atomic positions from ICSD Inorganic Chemistry, 1995, 34, 3917-3927
9012526	CIF	D6 Mn N O5 P	P m n 21	5.7302; 8.8191; 4.9087 90; 90; 90	248.062	Carling, S. G.; Day, P.; Visser, D. Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 295 K Note: atomic positions from ICSD Inorganic Chemistry, 1995, 34, 3917-3927
9012527	CIF	Ba H8 O14 P2 V2	P 1 n 1	6.386; 12.7796; 6.387 90; 90.172; 90	521.244	Roca, M.; Marcos, M. D.; Amoros, P.; Alamo, J.; Beltran-Porter A; Beltran-Porter D Synthesis and crystal structure of a novel lamellar barium derivative: Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates M(VOPO4)2*nH2O Inorganic Chemistry, 1997, 36, 3414-3421
9012528	CIF	H2 In O5 P	P -1	5.4342; 5.5508; 6.5446 97.593; 94.558; 107.565	185.064	Tang, X. J.; Lachgar, A. The missing link: synthesis, crystal structure, and thermogravimetric studies of InPO4*H2O Inorganic Chemistry, 1998, 37, 6181-6185
9012529	CIF	Ca2 H4 In O13 P3	C 1 2/c 1	7.573; 15.838; 9.3126 90; 113.55; 90	1023.93	X. Tang; A. Jones; A. Lachgar; B. J. Gross; J. L. Yarger Synthesis, crystal structure, NMR studies, and thermal stability of mixed iron-indium phosphates with quasi-one-dimensional frameworks Inorganic Chemistry, 1999, 38, 6032-6038
9012530	CIF	Hg O	P n m a	6.6129; 5.5208; 3.5219 90; 90; 90	128.579	Aurivillius, K. Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic Acta Chemica Scandinavica, 1964, 18, 1305-1306
9012531	CIF	Hg2 I Na O2	P 62 2 2	6.667; 6.667; 10.054 90; 90; 120	387.017	Aurivillius, K. Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic Acta Chemica Scandinavica, 1964, 18, 1305-1306
9012532	CIF	N2 O Si2	C m c 21	8.843; 5.473; 4.835 90; 90; 90	234.003	Idrestedt, I.; Brosset, C. Structure of Si2N2O Acta Chemica Scandinavica, 1964, 18, 1879-1886

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