Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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