Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9007480 | CIF | H8 Mg O8 S | P 1 21/n 1 | 5.922; 13.604; 7.905 90; 90.85; 90 | 636.78 | Baur, W. H. On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO4*4H2O Acta Crystallographica, 1964, 17, 863-869 |
| 9007481 | CIF | C2 H6 O12 Zn5 | C 1 2/m 1 | 13.62; 6.3; 5.42 90; 95.833; 90 | 462.661 | Ghose, S. The crystal structure of hydrozincite, Zn5(OH)6(CO3)2 Acta Crystallographica, 1964, 17, 1051-1057 |
| 9007482 | CIF | Fe H14 O11 S | P 1 21/c 1 | 14.072; 6.503; 11.041 90; 105.57; 90 | 973.287 | Baur, W. H. On the crystal chemistry of salt hydrates. III. The determination of the crystal structure of FeSO4*7H2O (melanterite) Locality: synthetic Acta Crystallographica, 1964, 17, 1167-1174 |
| 9007483 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.221 | Baur, W. H. On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths Acta Crystallographica, 1964, 17, 1361-1369 |
| 9007484 | CIF | Mg Na6 O16 S4 | P 1 21/c 1 | 9.797; 9.217; 8.199 90; 113.5; 90 | 678.956 | Fischer, W.; Hellner, E. Ueber die struktur des vanthoffits Acta Crystallographica, 1964, 17, 1613-1613 |
| 9007485 | CIF | O2 Zr | P 1 21/c 1 | 5.145; 5.2075; 5.3107 90; 99.23; 90 | 140.445 | Smith, D. K.; Newkirk, H. W. The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2 Acta Crystallographica, 1965, 18, 983-991 |
| 9007486 | CIF | Cr O4 Pb | P 1 21/n 1 | 7.12; 7.43; 6.79 90; 102.42; 90 | 350.796 | Quareni, S.; De Pieri, R. A three-dimensional refinement of the structure of crocoite, PbCrO4 Acta Crystallographica, 1965, 19, 287-289 |
| 9007487 | CIF | Al2 Be2 Ca4 H2 O28 Si9 | C m c m | 23.19; 5.005; 19.39 90; 90; 90 | 2250.52 | Cannillo, E.; Coda, A.; Fagnani, G. The crystal structure of bavenite Acta Crystallographica, 1966, 20, 301-309 |
| 9007488 | CIF | Mn O21 Pb8 Si6 | R -3 c :H | 9.821; 9.821; 38.38 90; 90; 120 | 3205.88 | Lajzerowicz, J. Etude par diffraction des rayons X et absorption infra-rouge de la barysilite, MnPb8.3Si2O7, et de composes isomorphes Acta Crystallographica, 1965, 20, 357-363 |
| 9007489 | CIF | As Cu2 H7 O8 | P 21 21 21 | 10.063; 10.522; 6.107 90; 90; 90 | 646.627 | Finney, J. J. Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O Acta Crystallographica, 1966, 21, 437-440 |
| 9007490 | CIF | C H2 Cu2 O5 | P 1 21/a 1 | 9.502; 11.974; 3.24 90; 98.75; 90 | 364.347 | Susse, P. Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3 Acta Crystallographica, 1967, 22, 146-151 |
| 9007491 | CIF | Al Ca F6 H2 Na O | P 1 21/c 1 | 5.583; 5.508; 16.127 90; 96.43; 90 | 492.804 | Cocco, G.; Castiglione, P. C.; Vagliasindi, G. The crystal structure of thomsenolite Acta Crystallographica, 1967, 23, 162-166 |
| 9007492 | CIF | Rh2 S3 | P b c n | 8.462; 5.985; 6.138 90; 90; 90 | 310.859 | Parthe, E.; Hohnke, D.; Hulliger, F. A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3 Acta Crystallographica, 1967, 23, 832-840 |
| 9010965 | CIF | As2 Fe3 H16 O16 | C 1 2/m 1 | 10.25; 13.48; 4.71 90; 103.83; 90 | 631.914 | Mori, H.; Ito, T. The structure of vivianite and symplesite Acta Crystallographica, 1950, 3, 1-6 |
| 9010966 | CIF | Fe3 H16 O16 P2 | C 1 2/m 1 | 10.08; 13.43; 4.7 90; 104.5; 90 | 615.993 | Mori, H.; Ito, T. The structure of vivianite and symplesite Acta Crystallographica, 1950, 3, 1-6 |
| 9010967 | CIF | Co | P 63/m m c | 2.5074; 2.5074; 4.0699 90; 90; 120 | 22.16 | Taylor, A.; Floyd, R. W. Precision measurements of lattice parameters of non-cubic crystals Sample: at T < 450 C Acta Crystallographica, 1950, 3, 285-289 |
| 9010968 | CIF | Co | F m -3 m | 3.5442; 3.5442; 3.5442 90; 90; 90 | 44.52 | Taylor, A.; Floyd, R. W. Precision measurements of lattice parameters of non-cubic crystals Sample: at T > 450 C Acta Crystallographica, 1950, 3, 285-289 |
| 9010969 | CIF | Ce O4 P | P 62 2 2 | 7.055; 7.055; 6.439 90; 90; 120 | 277.551 | Mooney, R. C. L. X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification Acta Crystallographica, 1950, 3, 337-340 |
| 9010971 | CIF | C K O3 | P 1 21/a 1 | 15.11; 5.67; 3.71 90; 103.75; 90 | 308.741 | Nitta, I.; Tomiie, Y.; Koo, C. H. The crystal structure of potassium bicarbonate, KHCO3 Acta Crystallographica, 1952, 5, 292-292 |
| 9010972 | CIF | O2 S | A e a 2 | 6.07; 5.94; 6.14 90; 90; 90 | 221.383 | Post, B.; Schwartz, R. S.; Fankuchen, I. The crystal structure of sulfur dioxide Sample: T = -130 C Acta Crystallographica, 1952, 5, 372-374 |
| 9010973 | CIF | Ca2 O5 Si | P b c a | 9.34; 9.22; 10.61 90; 90; 90 | 913.678 | Heller, L. The structure of dicalcium silicate alpha-hydrate Acta Crystallographica, 1952, 5, 724-728 |
| 9010974 | CIF | As S | P 1 21/n 1 | 9.27; 13.5; 6.56 90; 106.62; 90 | 786.654 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of realgar locality: Saimoko, Japan Acta Crystallographica, 1952, 5, 775-782 |
| 9010975 | CIF | Cl H11 Mg2 O7 | P -1 | 8.65; 6.27; 7.43 101.97; 104; 73.18 | 370.154 | de Wolff, P. M.; Walter-Levy L The crystal structure of Mg2(OH)3(Cl,Br)*4H2O Acta Crystallographica, 1953, 6, 40-44 |
| 9010976 | CIF | Se8 | P 1 21/a 1 | 12.85; 8.07; 9.31 90; 93.13; 90 | 964.002 | Marsh, R. E.; Pauling, L.; McCullough, J. D. The crystal structure of beta-selenium Note: structure known as beta phase Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246 Acta Crystallographica, 1953, 6, 71-75 |
| 9010977 | CIF | Fe3 H6 O11 P2 | P c m b | 8.73; 10.152; 9.57 90; 90; 90 | 848.16 | Eversheim, P.; Kleber, W. Morphologie und struktur des reddingits, P2O5*3FeO*3H2O Note: z(FeII) adjusted to match symmetry constraint Acta Crystallographica, 1953, 6, 215-216 |
| 9010980 | CIF | Al2 Ba O8 Si2 | P n a m | 9.076; 9.583; 8.578 90; 90; 90 | 746.074 | Smith, J. V. The crystal structure of paracelsian, BaAl2Si2O8 Acta Crystallographica, 1953, 6, 613-620 |
| 9010981 | CIF | C K O3 | P 1 21/a 1 | 15.176; 5.63; 3.708 90; 104.52; 90 | 306.696 | Nitta, I.; Tomiie, Y.; Koo, C. H. On the relation among the results of various investigations on potassium bicarbonate, KHCO3 Acta Crystallographica, 1954, 7, 140-141 |
| 9010982 | CIF | O3 S | P 1 21/c 1 | 6.2; 4.06; 9.31 90; 109.83; 90 | 220.455 | Westrik, R.; MacGillavry, C. H. The crystal structure of the asbestos-like form of sulphur trioxide Acta Crystallographica, 1954, 7, 764-767 |
| 9010983 | CIF | C2 H2 O8 Pb3 | P 3 1 m | 9.06; 9.06; 8.27 90; 90; 120 | 587.885 | Cowley, J. M. Electron-diffraction study of the structure of basic lead carbonate, 2PbCO3*Pb(OH)2 Acta Crystallographica, 1956, 9, 391-396 |
| 9010984 | CIF | Y | P 63/m m c | 3.6474; 3.6474; 5.7306 90; 90; 120 | 66.023 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010985 | CIF | Sc | P 63/m m c | 3.309; 3.309; 5.2733 90; 90; 120 | 50.004 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.6% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010986 | CIF | La | P 63/m m c | 3.77; 3.77; 12.159 90; 90; 120 | 149.662 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010987 | CIF | Ce | F m -3 m | 5.1612; 5.1612; 5.1612 90; 90; 90 | 137.484 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010988 | CIF | Pr | P 63/m m c | 3.6725; 3.6725; 11.8354 90; 90; 120 | 138.241 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.9% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010989 | CIF | Nd | P 63/m m c | 3.6579; 3.6579; 11.7992 90; 90; 120 | 136.725 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010990 | CIF | Eu | I m -3 m | 4.606; 4.606; 4.606 90; 90; 90 | 97.717 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 98-99% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010991 | CIF | Gd | P 63/m m c | 3.636; 3.636; 5.7826 90; 90; 120 | 66.207 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.7% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010992 | CIF | Tb | P 63/m m c | 3.601; 3.601; 5.6936 90; 90; 120 | 63.939 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010993 | CIF | Dy | P 63/m m c | 3.5903; 3.5903; 5.6475 90; 90; 120 | 63.045 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010994 | CIF | Ho | P 63/m m c | 3.5773; 3.5773; 5.6158 90; 90; 120 | 62.238 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010995 | CIF | Er | P 63/m m c | 3.5588; 3.5588; 5.5874 90; 90; 120 | 61.284 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.8% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010996 | CIF | Tm | P 63/m m c | 3.5375; 3.5375; 5.5546 90; 90; 120 | 60.197 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010997 | CIF | Yb | F m -3 m | 5.4862; 5.4862; 5.4862 90; 90; 90 | 165.126 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010998 | CIF | Lu | P 63/m m c | 3.5031; 3.5031; 5.5509 90; 90; 120 | 58.993 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9010999 | CIF | Sm | P 63/m m c | 3.621; 3.621; 26.25 90; 90; 120 | 298.069 | Spedding, F. H.; Daane, A. H.; Herrmann, K. W. The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99% pure Acta Crystallographica, 1956, 9, 559-563 |
| 9011000 | CIF | Na | P 63/m m c | 3.767; 3.767; 6.154 90; 90; 120 | 75.627 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011001 | CIF | Na | I m -3 m | 4.225; 4.225; 4.225 90; 90; 90 | 75.419 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 5 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011002 | CIF | Na | I m -3 m | 4.235; 4.235; 4.235 90; 90; 90 | 75.956 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Sample: at T = 78 K Note: lattice parameters are average of 4 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011003 | CIF | Li | P 63/m m c | 3.111; 3.111; 5.093 90; 90; 120 | 42.688 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 4 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011004 | CIF | Li | I m -3 m | 3.491; 3.491; 3.491 90; 90; 90 | 42.545 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011005 | CIF | K | I m -3 m | 5.225; 5.225; 5.225 90; 90; 90 | 142.646 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011006 | CIF | K | I m -3 m | 5.236; 5.236; 5.236 90; 90; 90 | 143.549 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Sample: at T = 66 K Acta Crystallographica, 1956, 9, 671-677 |
| 9011007 | CIF | K | I m -3 m | 5.247; 5.247; 5.247 90; 90; 90 | 144.455 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 3 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011008 | CIF | Rb | I m -3 m | 5.585; 5.585; 5.585 90; 90; 90 | 174.209 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011009 | CIF | Rb | I m -3 m | 5.605; 5.605; 5.605 90; 90; 90 | 176.087 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 2 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011010 | CIF | Cs | I m -3 m | 6.045; 6.045; 6.045 90; 90; 90 | 220.897 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011011 | CIF | Cs | I m -3 m | 6.067; 6.067; 6.067 90; 90; 90 | 223.317 | Barrett, C. S. X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values Acta Crystallographica, 1956, 9, 671-677 |
| 9011012 | CIF | Cu Fe2 O4 | I 41/a m d :2 | 5.8; 5.8; 8.73 90; 90; 90 | 293.677 | Prince, E.; Treuting, R. G. The structure of tetragonal copper ferrite Note: cell extrapolated from tetrahedra description Acta Crystallographica, 1956, 9, 1025-1028 |
| 9011013 | CIF | B2 H6 Mg O7 | P 42/n :1 | 7.62; 7.62; 8.19 90; 90; 90 | 475.547 | Paton, F.; MacDonald, S. G. G. The crystal structure of pinnoite Acta Crystallographica, 1957, 10, 653-656 |
| 9011014 | CIF | H2 O3 V | I 1 2/c 1 | 8.8; 3.95; 5.96 90; 90.67; 90 | 207.155 | Evans, H. T.; Mrose, M. E. The crystal structures of three new vanadium oxide minerals Note: x(OH2) corrected Acta Crystallographica, 1958, 11, 56-58 |
| 9011015 | CIF | O5 V2 | C 1 2/m 1 | 12.17; 2.99; 4.83 90; 98.25; 90 | 173.937 | Evans, H. T.; Mrose, M. E. The crystal structures of three new vanadium oxide minerals Acta Crystallographica, 1958, 11, 56-58 |
| 9011016 | CIF | O8 V3 | C 1 2/m 1 | 19.64; 2.99; 4.83 90; 103.92; 90 | 275.305 | Evans, H. T.; Mrose, M. E. The crystal structures of three new vanadium oxide minerals Acta Crystallographica, 1958, 11, 56-58 |
| 9011017 | CIF | H K O4 S | P b c a | 8.4; 9.79; 18.93 90; 90; 90 | 1556.73 | Loopstra, L. H.; MacGillavry, V. H. The crystal structure of KHSO4 (mercallite) Acta Crystallographica, 1958, 11, 349-354 |
| 9011018 | CIF | H8 Na2 O12 S2 Zn | P 1 21/a 1 | 11.05; 8.23; 5.54 90; 100.58; 90 | 495.251 | Giglio, M. Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit) Acta Crystallographica, 1958, 11, 789-794 |
| 9011019 | CIF | Ag0.5 Bi0.5 Se | F m -3 m | 5.82; 5.82; 5.82 90; 90; 90 | 197.137 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: pure sample Acta Crystallographica, 1959, 12, 46-54 |
| 9011020 | CIF | Ag0.5 Bi0.5 Se | F m -3 m | 5.832; 5.832; 5.832 90; 90; 90 | 198.359 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: solid solution extrapolation Acta Crystallographica, 1959, 12, 46-54 |
| 9011021 | CIF | Ag0.5 Bi0.5 Se | F m -3 m | 5.887; 5.887; 5.887 90; 90; 90 | 204.024 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 300 C Acta Crystallographica, 1959, 12, 46-54 |
| 9011022 | CIF | Ag Bi Se2 | R -3 m :R | 7.022; 7.022; 7.022 34.5; 34.5; 34.5 | 99.098 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 240 C Acta Crystallographica, 1959, 12, 46-54 |
| 9011023 | CIF | Ag Bi Se2 | P -3 m 1 | 4.18; 4.18; 19.67 90; 90; 120 | 297.637 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Acta Crystallographica, 1959, 12, 46-54 |
| 9011024 | CIF | Ag Bi S2 | P -3 m 1 | 4.07; 4.07; 19.06 90; 90; 120 | 273.428 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Acta Crystallographica, 1959, 12, 46-54 |
| 9011025 | CIF | Ag0.5 Bi0.5 S | F m -3 m | 5.648; 5.648; 5.648 90; 90; 90 | 180.171 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Acta Crystallographica, 1959, 12, 46-54 |
| 9011026 | CIF | Ag0.5 Bi0.5 S | F m -3 m | 5.682; 5.682; 5.682 90; 90; 90 | 183.444 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T = 200 C Acta Crystallographica, 1959, 12, 46-54 |
| 9011027 | CIF | Ag0.5 Bi0.5 S | F m -3 m | 5.693; 5.693; 5.693 90; 90; 90 | 184.512 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T = 243 C Acta Crystallographica, 1959, 12, 46-54 |
| 9011028 | CIF | Ag0.5 Sb0.5 Se | F m -3 m | 5.786; 5.786; 5.786 90; 90; 90 | 193.703 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Acta Crystallographica, 1959, 12, 46-54 |
| 9011029 | CIF | Ag0.5 S Sb0.5 | F m -3 m | 5.647; 5.647; 5.647 90; 90; 90 | 180.075 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Acta Crystallographica, 1959, 12, 46-54 |
| 9011030 | CIF | Ag0.5 Sb0.5 Te | F m -3 m | 6.078; 6.078; 6.078 90; 90; 90 | 224.534 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Acta Crystallographica, 1959, 12, 46-54 |
| 9011031 | CIF | Ag0.5 Bi0.5 Te | F m -3 m | 6.155; 6.155; 6.155 90; 90; 90 | 233.176 | Geller, S.; Wernick, J. H. Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Acta Crystallographica, 1959, 12, 46-54 |
| 9011033 | CIF | Ca | F m -3 m | 5.5884; 5.5884; 5.5884 90; 90; 90 | 174.527 | Bernstein, B. T.; Smith, J. F. Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 26 C Acta Crystallographica, 1959, 12, 419-420 |
| 9011034 | CIF | Ca | I m -3 m | 4.48; 4.48; 4.48 90; 90; 90 | 89.915 | Bernstein, B. T.; Smith, J. F. Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 467 C Acta Crystallographica, 1959, 12, 419-420 |
| 9011035 | CIF | Al2 Ca O8 Si2 | P 63/m c m | 5.1; 5.1; 14.72 90; 90; 120 | 331.573 | Takeuchi, Y.; Donnay, G. The crystal structure of hexagonal CaAl2Si2O8 Acta Crystallographica, 1959, 12, 465-470 |
| 9011036 | CIF | B | R -3 m :H | 4.908; 4.908; 12.567 90; 90; 120 | 262.163 | Decker, B. F.; Kasper, J. S. The crystal structure of a simple rhombohedral form of boron Locality: synthetic Acta Crystallographica, 1959, 12, 503-506 |
| 9011037 | CIF | Li Mn O4 P | P m n b | 6.1; 10.46; 4.744 90; 90; 90 | 302.696 | Geller, S.; Durand, J. L. Refinement of the structure of LiMnPO4 Acta Crystallographica, 1960, 13, 325-331 |
| 9011038 | CIF | Fe H6 O6 Sn | P n -3 m :2 | 7.79; 7.79; 7.79 90; 90; 90 | 472.729 | Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica, 1960, 13, 601-603 |
| 9011039 | CIF | H6 Mn O6 Sn | P n -3 m :2 | 7.88; 7.88; 7.88 90; 90; 90 | 489.304 | Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica, 1960, 13, 601-603 |
| 9011040 | CIF | Co H6 O6 Sn | P n -3 m :2 | 7.78; 7.78; 7.78 90; 90; 90 | 470.911 | Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica, 1960, 13, 601-603 |
| 9011041 | CIF | H6 Mg O6 Sn | P n -3 m :2 | 7.77; 7.77; 7.77 90; 90; 90 | 469.097 | Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica, 1960, 13, 601-603 |
| 9011042 | CIF | Ca H6 O6 Sn | P n -3 m :2 | 8.13; 8.13; 8.13 90; 90; 90 | 537.368 | Strunz, V. H.; Contag, B. Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Acta Crystallographica, 1960, 13, 601-603 |
| 9011043 | CIF | Ca4 H2 O11 Si3 | P -1 | 10.32; 7.36; 7.04 90; 106.4; 90 | 512.969 | Gard, J. A.; Taylor, H. F. W. The crystal structure of foshagite Acta Crystallographica, 1960, 13, 785-793 |
| 9011044 | CIF | Li3 O4 P | P m n b | 6.12; 10.53; 4.93 90; 90; 90 | 317.707 | Zemann, J. Die kristallstruktur von lithiumphosphat, Li3PO4 Acta Crystallographica, 1960, 13, 863-867 |
| 9011045 | CIF | H4 In O6 P | P b c a | 10.36; 8.84; 10.19 90; 90; 90 | 933.225 | Mooney-Slater R C L X-ray diffraction study of indium phosphate dihydrate and isostructural thallic compounds Acta Crystallographica, 1961, 14, 1140-1146 |
| 9011046 | CIF | As9 Pb5 S18 | P -1 | 22.78; 8.33; 7.9 90; 97.4; 90 | 1486.6 | Le Bihan, M. T. Contribution a l'etude structurale des sulfures d'arsenic et de plomb. Structure de la baumhauerite Acta Crystallographica, 1961, 14, 1210-1211 |
| 9011047 | CIF | As13 Pb9 S28 | P 1 21/c 1 | 8.43; 70.9; 7.91 90; 90.25; 90 | 4727.66 | Le Bihan, M. T. Structure de la rathite II. Comparaison entre les differentes structures connues de sulfures d'arsenic et de plomb Acta Crystallographica, 1961, 14, 1211-1212 |
| 9011048 | CIF | C H Na O3 | P 1 21/c 1 | 3.51; 9.71; 8.05 90; 111.85; 90 | 254.651 | Sass, R. L.; Scheuerman, R. F. The crystal structure of sodium bicarbonate Acta Crystallographica, 1962, 15, 77-81 |
| 9011049 | CIF | B4 Li2 O7 | I 41 c d | 9.47; 9.47; 10.26 90; 90; 90 | 920.126 | Krogh-Moe J The crystal structure of lithium diborate, Li2O*2B2O3 Acta Crystallographica, 1962, 15, 190-193 |
| 9011050 | CIF | Ge | F d -3 m :1 | 5.65754; 5.65754; 5.65754 90; 90; 90 | 181.085 | Cooper, A. S. Precise lattice constants of germanium, aluminum, gallium arsenide, uranium, sulphur, quartz and sapphire Sample: at T = 24.6 C Acta Crystallographica, 1962, 15, 578-582 |
| 9011051 | CIF | Pd17 Se15 | P m -3 m | 10.606; 10.606; 10.606 90; 90; 90 | 1193.04 | Geller, S. The crystal structure of Pd17Se15 Sample: Pm3m refinement Acta Crystallographica, 1962, 15, 713-721 |
| 9011052 | CIF | Pd17 Se15 | P -4 3 m | 10.606; 10.606; 10.606 90; 90; 90 | 1193.04 | Geller, S. The crystal structure of Pd17Se15 Sample: P-43m refinement Acta Crystallographica, 1962, 15, 713-721 |
| 9011053 | CIF | Pd17 Se15 | P 4 3 2 | 10.606; 10.606; 10.606 90; 90; 90 | 1193.04 | Geller, S. The crystal structure of Pd17Se15 Sample: P432 refinement Acta Crystallographica, 1962, 15, 713-721 |
| 9011054 | CIF | B H O2 | P -4 3 n | 8.886; 8.886; 8.886 90; 90; 90 | 701.647 | Zachariasen, W. H. The crystal structure of cubic metaboric acid Acta Crystallographica, 1963, 16, 380-384 |
| 9011055 | CIF | Cu1.25 Fe0.25 S | R 3 m :R | 6.7; 6.7; 6.7 33.53; 33.53; 33.53 | 81.736 | Morimoto, N. Structures of two polymorphic forms of Cu5FeS4 Sample: metastable, twin process Acta Crystallographica, 1964, 17, 351-360 |
| 9011056 | CIF | Si | I a -3 | 6.636; 6.636; 6.636 90; 90; 90 | 292.226 | Kasper, J. S.; Richards, S. M. The crystal structures of new forms of silicon and germanium Acta Crystallographica, 1964, 17, 752-755 |
| 9011057 | CIF | Ge | P 43 21 2 | 5.93; 5.93; 6.98 90; 90; 90 | 245.451 | Kasper, J. S.; Richards, S. M. The crystal structures of new forms of silicon and germanium Acta Crystallographica, 1964, 17, 752-755 |
| 9011058 | CIF | F6 Na2 Si | P 3 2 1 | 8.859; 8.859; 5.038 90; 90; 120 | 342.419 | Zalkin, A.; Forrester, J. D.; Templeton, D. H. The crystal structure of sodium fluorosilicate Acta Crystallographica, 1964, 17, 1408-1412 |
| 9011059 | CIF | O3 S | P 21 n b | 5.13; 10.82; 12.4 90; 90; 90 | 688.282 | Pascard, R.; Pascard-Billy C Structure precise de l'anhydride sulfurique Acta Crystallographica, 1965, 18, 830-834 |
| 9011060 | CIF | As Cu S | P n a 21 | 11.35; 5.456; 3.749 90; 90; 90 | 232.159 | Craig, D. C.; Stephenson, N. C. The crystal structure of lautite, CuAsS Acta Crystallographica, 1965, 19, 543-547 |
| 9011061 | CIF | C5 H4 N4 O3 | P 1 21/a 1 | 14.464; 7.403; 6.208 90; 65.1; 90 | 602.943 | Ringertz, H. The molecular and crystal structure of uric acid Acta Crystallographica, 1966, 20, 397-403 |
| 9011062 | CIF | D12 Ni O10 S | P 41 21 2 | 6.79; 6.79; 18.305 90; 90; 90 | 843.936 | O'Connor B H; Dale, D. H. A neutron diffraction analysis of the crystal structure of tetragonal nickel sulphate hexadeuterate Locality: synthetic Acta Crystallographica, 1966, 21, 705-709 |
| 9011063 | CIF | O3 S | P 21 n b | 5.191; 10.82; 12.384 90; 90; 90 | 695.567 | McDonald, W. S.; Cruickshank, D. W. J. A refinement of the structure of S3O9 Acta Crystallographica, 1967, 22, 48-51 |
| 9011064 | CIF | Al H24 Na O20 S2 | P a -3 | 12.213; 12.213; 12.213 90; 90; 90 | 1821.66 | Cromer, D. T.; Kay, M. I.; Larson, A. C. Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic Acta Crystallographica, 1967, 22, 182-187 |
| 9011066 | CIF | C7 H4 O | P 1 21/a 1 | 15.81; 3.942; 7.895 90; 102.72; 90 | 479.964 | Prakash, A. Refinement of the crystal structure of anthraquinone Acta Crystallographica, 1967, 22, 439-440 |
| 9011067 | CIF | Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 | A -1 | 5.36; 11.76; 21.07999 85.13; 90; 103.22 | 1288.61 | Woodrow, P. J. The crystal structure of astrophyllite Acta Crystallographica, 1967, 22, 673-678 |
| 9011068 | CIF | Mn | I -4 3 m | 8.9125; 8.9125; 8.9125 90; 90; 90 | 707.944 | Gazzara, C. P.; Middleton, R. M.; Weiss, R. J.; Hall, E. O. A refinement of the parameters of alpha manganese Localilty: synthetic Sample: at T = 298K Acta Crystallographica, 1967, 22, 859-862 |
| 9011070 | CIF | B2 H6 Mg O7 | P 42 | 7.62; 7.62; 8.19 90; 90; 90 | 475.547 | Krogh-Moe J A note on the structure of pinnoite Acta Crystallographica, 1967, 23, 500-501 |
| 9011071 | CIF | O4 Ta Y | P 1 2/a 1 | 5.292; 5.451; 5.11 90; 96.44; 90 | 146.476 | Wolten, G. M. The structure of the M'-phase of YTaO4, a third fergusonite polymorph Acta Crystallographica, 1967, 23, 939-944 |
| 9013391 | CIF | C5 H8 | P -4 21 c | 6.6; 6.6; 8.81 90; 90; 90 | 383.764 | Donohue, J.; Goodman, S. H. The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase Acta Crystallographica, 1967, 22, 352-354 |
| 9013889 | CIF | Fe3 H8 O12 P2 | P 1 21/a 1 | 10.45; 4.65; 9.25 90; 90; 90 | 449.481 | Ito, T.; Mori, H. The crystal structure of ludlamite Acta Crystallographica, 1951, 4, 412-416 |
| 9014255 | CIF | Al H24 K1.3 O20 S2 | P a -3 | 12.157; 12.157; 12.157 90; 90; 90 | 1796.71 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9014323 | CIF | Fe2 K Li Na2 O24 Si8 Ti2 | C 1 2/c 1 | 16.46; 12.5; 10.01 90; 115.43; 90 | 1860.01 | Cannillo, E.; Mazzi, F.; Rossi, G. The crystal structure of neptunite Acta Crystallographica, 1966, 21, 200-208 |
| 9014498 | CIF | Sm | R -3 m :R | 8.996; 8.996; 8.996 23.22; 23.22; 23.22 | 99.346 | Daane, A. H.; Rundle, R. E.; Smith, H. G.; Spedding, F. H. The crystal structure of samarium Note: sample 99% pure Acta Crystallographica, 1954, 7, 532-535 |
| 9014665 | CIF | H7 Mg O7 P | P b c a | 10.215; 10.681; 10.014 90; 90; 90 | 1092.59 | Sutor, D. J. The crystal and molecular structure of newberyite, MgHPO4*3H2O Acta Crystallographica, 1967, 23, 418-422 |
| 9014781 | CIF | Al H24 O20 Rb S2 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9014871 | CIF | B7 Cl Mg3 O13 | P c a 21 | 8.54; 8.54; 12.07 90; 90; 90 | 880.284 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Acta Crystallographica, 1951, 4, 310-316 |
| 9015045 | CIF | H2 O | R -3 :R | 7.78; 7.78; 7.78 113.1; 113.1; 113.1 | 304.25 | Kamb, B. Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa Acta Crystallographica, 1964, 17, 1437-1449 |
| 9015159 | CIF | As Cu3 H3 O7 | P 1 21/c 1 | 7.24; 6.46; 12.38 90; 99.5; 90 | 571.077 | Ghose, S.; Fehlmann, M.; Sundaralingam, M. The crystal structure of clinoclase, Cu3AsO4(OH)3 Acta Crystallographica, 1965, 18, 777-787 |
| 9015212 | CIF | Al3.9 Ca1.95 H26 O37 Si8.1 | R -3 m :R | 9.42; 9.42; 9.42 94.28; 94.28; 94.28 | 828.533 | Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S. Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature Acta Crystallographica, 1963, 16, 45-53 |
| 9015431 | CIF | B F0.87 H2.13 Mg3 O5.13 | P 63/m | 9.06; 9.06; 3.06 90; 90; 120 | 217.525 | Takeuchi, Y. The structure of fluoborite Acta Crystallographica, 1950, 3, 208-210 |
| 9015571 | CIF | Al2 H4 Mg2 O9 Si | R 3 :H | 5.31; 5.31; 42.1 90; 90; 120 | 1028.02 | Steadman, R.; Nuttall, P. M. The crystal structure of amesite Note: polytype 6R Acta Crystallographica, 1962, 15, 510-511 |
| 9015802 | CIF | B7 Cl Mg3 O13 | F -4 3 c | 12.1; 12.1; 12.1 90; 90; 90 | 1771.56 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Note: high boracite Note: T = 300 C Acta Crystallographica, 1951, 4, 310-316 |
| 9015871 | CIF | B H O2 | P 1 21/a 1 | 7.122; 8.842; 6.771 90; 93.26; 90 | 425.698 | Zachariasen, W. H. The crystal structure of monoclinic metaboric acid Acta Crystallographica, 1963, 16, 385-389 |
| 9015983 | CIF | B H O2 | P b n m | 8.019; 9.703; 6.13 90; 90; 90 | 476.965 | Peters, C. R.; Milberg, M. E. The refined structure of orthorhombic metaboric acid Note T = -130 C Acta Crystallographica, 1964, 17, 229-234 |
| 9016031 | CIF | Cr2.5 Fe2.5 | P 42/m n m | 8.8; 8.8; 4.544 90; 90; 90 | 351.887 | Bergman, G.; Shoemaker, D. P. The determination of the crystal structure of the sigma phase in the iron-chromium and iron-molybdenum systems Acta Crystallographica, 1954, 7, 857-865 |
| 9016140 | CIF | Al2 Fe H4 O10 Si2 | C c c b :1 | 13.77; 20.18; 5.109 90; 90; 90 | 1419.68 | MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J. The crystal structure of ferrocarpholite Acta Crystallographica, 1956, 9, 773-776 |
| 9016173 | CIF | Na Nb O3 | P 2 2 21 | 5.504; 5.568; 15.52 90; 90; 90 | 475.63 | Vousden, P. The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite Acta Crystallographica, 1951, 4, 545-551 |
| 9016346 | CIF | Al H24 N O20 S2 | P a -3 | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9016354 | CIF | Al2.754 H12 Mg Na0.75 O42 Si15.246 | I m m m | 19.156; 14.127; 7.489 90; 90; 90 | 2026.65 | Vaughan, P. A. The crystal structure of the zeolite ferrierite Acta Crystallographica, 1966, 21, 983-990 |
| 9016479 | CIF | Al H Li O5 P | P -1 | 5.18; 7.15; 5.004 112.12; 97.8; 67.88 | 159.051 | Baur, W. H. Die Kristallstruktur des Edelamblygonits LiAlPO4(OH,F) Acta Crystallographica, 1959, 12, 988-994 |
| 9016584 | CIF | C Fe3 | P n m a | 5.09; 6.748; 4.523 90; 90; 90 | 155.353 | Herbstein, F. H.; Smuts, J. Comparison of X-ray and neutron-diffraction refinements of the structure of cementite Fe3C Acta Crystallographica, 1964, 17, 1331-1332 |
| 9016677 | CIF | C Fe2.7 Mn0.3 | P n m a | 5.0598; 6.7462; 4.5074 90; 90; 90 | 153.857 | Fasiska, E. J.; Jeffery, G. A. On the cementite structure Acta Crystallographica, 1965, 19, 463-471 |
| 9017288 | CIF | Al0.98 K O8 Si3.02 | C 1 2/m 1 | 8.5616; 12.9962; 7.1934 90; 116.015; 90 | 719.3 | Jones, J. B.; Taylor, W. H. The structure of orthoclase Acta Crystallographica, 1961, 14, 443-456 |
| 9017290 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.48; 12.97; 7.18 90; 115.98; 90 | 709.895 | Ribbe, P. H. A refinement of the crystal structure of sanidinised orthoclase Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983 Acta Crystallographica, 1963, 16, 426-427 |
| 9017291 | CIF | H20 N2 Ni O14 S2 | P 1 21/a 1 | 9.241; 12.554; 6.243 90; 106.97; 90 | 692.724 | Montgomery, H.; Lingafelter, E. C. The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate Acta Crystallographica, 1964, 17, 1478-1479 |
| 9017292 | CIF | H20 Mg N2 O14 S2 | P 1 21/a 1 | 9.383; 12.669; 6.22 90; 107.05; 90 | 706.895 | Montgomery, H.; Lingafelter, E. C. The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate Acta Crystallographica, 1964, 17, 1478-1479 |
| 9017293 | CIF | O2 Si | C 2 2 21 (a,b,c+1/4) | 8.74; 5.04; 8.24 90; 90; 90 | 362.969 | Dollase, W. A. The crystal structure at 220 C of orthothombic high tridymite from the Steinbach meteorite Note: T = 220 C Acta Crystallographica, 1967, 23, 617-623 |
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