Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9007602 | CIF | Cl Cu2 H3 O3 | R -3 :H | 13.654; 13.654; 14.041 90; 90; 120 | 2266.98 | Fleet, M. E. The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Ordered structure, considered to be the true structure Acta Crystallographica, Section B, 1975, 31, 183-187 |
| 9007603 | CIF | Cl Cu2 H3 O3 | R -3 :H | 6.827; 6.827; 14.041 90; 90; 120 | 566.746 | Fleet, M. E. The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, can be considered as the average structure Acta Crystallographica, Section B, 1975, 31, 183-187 |
| 9007604 | CIF | Cl Cu2 O3 | R -3 :H | 6.827; 6.827; 14.041 90; 90; 120 | 566.746 | Fleet, M. E. The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, with disordered oxygens Acta Crystallographica, Section B, 1975, 31, 183-187 |
| 9007605 | CIF | As Fe H4 O6 | P b c a | 10.325; 8.953; 10.038 90; 90; 90 | 927.91 | Kitahama, K.; Kiriyama, R.; Yoshihisa, B. Refinement of the crystal structure of scorodite Acta Crystallographica, Section B, 1975, 31, 322-324 |
| 9007606 | CIF | Cu2 O7 V2 | F d d 2 | 20.645; 8.383; 6.442 90; 90; 90 | 1114.9 | Calvo, C.; Faggiani, R. Alpha cupric divanadate Acta Crystallographica, Section B, 1975, 31, 603-605 |
| 9007607 | CIF | B2 Ca3 O6 | R -3 c :H | 8.6377; 8.6377; 11.849 90; 90; 120 | 765.612 | Vegas, A.; Cano, F. H.; Garcia-Blanco S The crystal structure of calcium orthoborate: a redetermination Acta Crystallographica, Section B, 1975, 31, 1416-1419 |
| 9007608 | CIF | Cu H4 Na2 O10 S2 | P 1 21/c 1 | 5.807; 12.656; 5.517 90; 108.32; 90 | 384.912 | Hawthorne, F. C.; Ferguson, R. B. Refinement of the crystal structure of krohnkite Acta Crystallographica, Section B, 1975, 31, 1753-1755 |
| 9007609 | CIF | O3 Sb2 | F d -3 m :1 | 11.1519; 11.1519; 11.1519 90; 90; 90 | 1386.91 | Svensson, C. Refinement of the crystal structure of cubic antiomony trioxide, Sb2O3 Acta Crystallographica, Section B, 1975, 31, 2016-2018 |
| 9007610 | CIF | Li0.55 Mn4 Na0.45 O15 Si5 | P -1 | 7.621; 11.761; 6.731 92.767; 95.083; 106.867 | 573.345 | Narita, H.; Koto, K.; Morimoto, N.; Yoshii, M. The crystal structure of nambulite (Li,Na)Mn4Si5O14(OH) Acta Crystallographica, Section B, 1975, 31, 2422-2426 |
| 9007611 | CIF | Ca3 H6 O10 Si2 | C 1 c 1 | 16.278; 5.6321; 13.236 90; 134.898; 90 | 859.577 | Malik, K. M. A.; Jeffery, J. W. A re-investigation of the structure of afwillite Acta Crystallographica, Section B, 1976, 32, 475-480 |
| 9007612 | CIF | B3 H15 Mg O13 | P 1 21/c 1 | 6.8221; 13.1145; 12.035 90; 104.552; 90 | 1042.21 | Corazza, E. Inderite: Crystal structure refinement and relationship to kurnakovite Acta Crystallographica, Section B, 1976, 32, 1329-1333 |
| 9007613 | CIF | As H9 Mg O8 | P b c a | 7.472; 10.891; 16.585 90; 90; 90 | 1349.65 | Protas, J.; Gindt, R. Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation de la roesslerite Locality: synthetic Acta Crystallographica, Section B, 1976, 32, 1460-1466 |
| 9007614 | CIF | As3 Ca2 Mg1.7 Mn0.3 Na O12 | I a -3 d | 12.355; 12.355; 12.355 90; 90; 90 | 1885.94 | Hawthorne, F. C. Refinement of the crystal structure of berzeliite Note: garnet structure Acta Crystallographica, Section B, 1976, 32, 1581-1583 |
| 9007615 | CIF | Bi5 Cu Pb S9 | P b n m | 33.531; 11.486; 4.003 90; 90; 90 | 1541.7 | Kohatsu, I.; Wuensch, B. J. The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite) Acta Crystallographica, Section B, 1976, 32, 2401-2409 |
| 9007616 | CIF | Ca0.017 Fe0.614 Li0.301 Mg0.036 Mn0.333 Na0.014 O4 P0.965 | P m n b | 5.918; 10.037; 4.798 90; 90; 90 | 284.996 | Alberti, A. Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4 Acta Crystallographica, Section B, 1976, 32, 2761-2764 |
| 9007617 | CIF | O4 Pb W | P 1 21/a 1 | 13.555; 4.976; 5.561 90; 107.63; 90 | 357.471 | Fujita, T.; Kawada, I.; Kato, K. Raspite from Broken Hill Acta Crystallographica, Section B, 1977, 33, 162-164 |
| 9007618 | CIF | Al H4 O6 P | P b c a | 9.822; 8.561; 9.63 90; 90; 90 | 809.75 | Kniep, R.; Mootz, D.; Vegas, A. Variscite Acta Crystallographica, Section B, 1977, 33, 263-265 |
| 9007619 | CIF | Ca4 H4 O16 P4 | P -1 | 6.91; 6.627; 6.998 96.34; 103.82; 88.33 | 309.275 | Catti, M.; Ferraris, G.; Filhol, A. Hydrogen bonding in the crystalline state. CaHPO4 (monetite), P-1 or P1? A novel neutron diffraction study Acta Crystallographica, Section B, 1977, 33, 1223-1229 |
| 9007620 | CIF | C4 H10 Mg5 O18 | P 1 21/c 1 | 10.105; 8.954; 8.378 90; 114.44; 90 | 690.118 | Akao, M.; Iwai, S. The hydrogen bonding of hydromagnesite Acta Crystallographica, Section B, 1977, 33, 1273-1275 |
| 9007621 | CIF | As2 Ca Fe O7 Sb | I 41/a :2 | 16.144; 16.144; 10.706 90; 90; 90 | 2790.29 | Coda, A.; Dal Negro, A.; Sabelli, C.; Tazzoli, V. The crystal structure of stenhuggarite Acta Crystallographica, Section B, 1977, 33, 1807-1811 |
| 9007622 | CIF | Al2 Ba0.24 H10 K0.01 O21 Si6 Sr0.71 | P 1 21/m 1 | 6.793; 17.573; 7.759 90; 94.54; 90 | 923.312 | Schlenker, J. L.; Pluth, J. J.; Smith, J. V. Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O Acta Crystallographica, Section B, 1977, 33, 2907-2910 |
| 9007623 | CIF | C0.5 H4 Mg O4 | C 1 2/m 1 | 16.56; 3.153; 6.231 90; 99.1; 90 | 321.249 | Akao, M.; Iwai, S. The hydrogen bonding of artinite Note: anisotropic displacement parameters obtained from ICSD Acta Crystallographica, Section B, 1977, 33, 3951-3953 |
| 9007624 | CIF | O4 Si Th | I 41/a m d :2 | 7.1328; 7.1328; 6.3188 90; 90; 90 | 321.481 | Taylor, M.; Ewing, R. C. The crystal structure of the ThSiO4 polymorphs: huttonite and thorite Acta Crystallographica, Section B, 1978, 34, 1074-1079 |
| 9007625 | CIF | O4 Si Th | P 1 21/n 1 | 6.784; 6.974; 6.5 90; 104.92; 90 | 297.158 | Taylor, M.; Ewing, R. C. The crystal structure of the ThSiO4 polymorphs: huttonite and thorite Acta Crystallographica, Section B, 1978, 34, 1074-1079 |
| 9007626 | CIF | Al2 H18 O15 S | P 1 21/c 1 | 7.44; 15.583; 11.7 90; 110.18; 90 | 1273.2 | Sabelli, C.; Ferroni, R. T. The crystal structure of aluminite Note: anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1978, 34, 2407-2412 |
| 9007627 | CIF | O4 Si Zn2 | R -3 :H | 13.948; 13.948; 9.315 90; 90; 120 | 1569.41 | Klaska, K.-H.; Eck, J. C.; Pohl, D. New investigation of willemite Note: Anisotropic displacement parameters are from ICSD Acta Crystallographica, Section B, 1978, 34, 3324-3325 |
| 9007628 | CIF | As2 Cu3 H2 O10 Pb | C 1 2/c 1 | 10.147; 5.892; 14.081 90; 106.05; 90 | 809.034 | Ghose, S.; Wan, C. Structural chemistry of copper and zinc minerals. VI. Bayldonite, (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure Acta Crystallographica, Section B, 1979, 35, 819-823 |
| 9007629 | CIF | As H Mn4 O13 Si3 | P 1 21/n 1 | 6.66; 19.92; 7.67 90; 95.7; 90 | 1012.53 | Gramaccioli, C. M.; Pilati, T.; Liborio, G. Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: The presence of a new tetrapolyphosphate-like anion Note: Displacement parameters taken from ICSD Acta Crystallographica, Section B, 1979, 35, 2287-2291 |
| 9007630 | CIF | Ba5 Cl O12 P3 | P 63/m | 10.284; 10.284; 7.651 90; 90; 120 | 700.766 | Hata, M.; Marumo, F.; Iwai, S.; Aoki, H. Structure of barium chlorapatite Acta Crystallographica, Section B, 1979, 35, 2382-2384 |
| 9007631 | CIF | Al Cl Cu H28 O22 S2 | P -1 | 6.282; 13.192; 6.26 91.85; 94.7; 82.46 | 512.443 | Ginderow, D.; Cesbron, F. Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O Note: anisotropic displacement parameters obtained from ICSD Acta Crystallographica, Section B, 1979, 35, 2499-2502 |
| 9007632 | CIF | H7 Mg O7 P | P b c a | 10.203; 10.678; 10.015 90; 90; 90 | 1091.11 | Abbona, F.; Boistelle, R.; Haser, R. Hydrogen bonding in MgHPO4*3H2O (newberyite) Acta Crystallographica, Section B, 1979, 35, 2514-2518 |
| 9007633 | CIF | Al2 H6 K Na O10.765 Si2 | I 1 2 1 | 10.226; 10.422; 9.884 90; 88.19; 90 | 1052.86 | Alberti, A.; Vezzalini, G. The crystal structure of amicite, a zeolite Acta Crystallographica, Section B, 1979, 35, 2866-2869 |
| 9007634 | CIF | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.99 90; 90; 120 | 254.248 | Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S. A structural investigation of alpha-Al2O3 at 2170 K T = 300 K Acta Crystallographica, Section B, 1980, 36, 228-230 |
| 9007635 | CIF | Al2 O3 | R -3 c :H | 4.844; 4.844; 13.27 90; 90; 120 | 269.656 | Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S. A structural investigation of alpha-Al2O3 at 2170 K T = 2170 K Acta Crystallographica, Section B, 1980, 36, 228-230 |
| 9007636 | CIF | Ca2 H K2 Na O20 Si7 Ti | P -1 | 10.377; 12.166; 7.059 90.91; 99.3; 92.76 | 878.187 | Bissert, G. Verfeinerung der struktur von tinaksit, Ca2K2NaTiO[Si7O18(OH)] Note: z-coordinate of Si4 adjusted to match reported bond lengths Acta Crystallographica, Section B, 1980, 36, 259-263 |
| 9007637 | CIF | As O2 | P n m a | 8.597; 5.235; 7.269 90; 90; 90 | 327.143 | Jones, P. G.; Beesk, W.; Sheldrick, G. M.; Schwarzmann, E. Arsenic dioxide Acta Crystallographica, Section B, 1980, 36, 439-440 |
| 9007638 | CIF | K Na O4 S | P 3 m 1 | 5.6066; 5.6066; 7.177 90; 90; 120 | 195.377 | Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921 |
| 9007639 | CIF | K3 Na O8 S2 | P -3 m 1 | 5.6801; 5.6801; 7.309 90; 90; 120 | 204.221 | Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921 |
| 9007640 | CIF | Ni3 S2 | R 3 2 :R | 4.0718; 4.0718; 4.0718 89.459; 89.459; 89.459 | 67.5 | Parise, J. B. Structure of hazelwoodite (Ni3S2) Acta Crystallographica, Section B, 1980, 36, 1179-1180 |
| 9007641 | CIF | H42 Mg9 Mn1.882 O42 S2 Zn4 | P 1 21/a 1 | 11.147; 20.35; 8.202 90; 92.69; 90 | 1858.5 | Hill, R. J. The structure of mooreite Note: Isotropic and anisotropic displacement factors taken from ICSD Acta Crystallographica, Section B, 1980, 36, 1304-1311 |
| 9007642 | CIF | Ca Cl6 H24 Mg2 O12 | R -3 :H | 10.136; 10.136; 17.318 90; 90; 120 | 1540.85 | Clark, J. R.; Evans, H. T.; Erd, R. C. Tachyhydrite, dimagnesium calcium chloride 12-hydrate Acta Crystallographica, Section B, 1980, 36, 2736-2739 |
| 9007643 | CIF | C O2 | P a -3 | 5.624; 5.624; 5.624 90; 90; 90 | 177.884 | Simon, A.; Peters, K. Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K Acta Crystallographica, Section B, 1980, 36, 2750-2751 |
| 9007644 | CIF | Fe3 O4 | F d -3 m :2 | 8.3941; 8.3941; 8.3941 90; 90; 90 | 591.456 | Fleet, M. E. The structure of magnetite Acta Crystallographica, Section B, 1981, 37, 917-920 |
| 9007645 | CIF | C3 H10 Ca Na2 O16 U | R -3 m :H | 17.902; 17.902; 23.734 90; 90; 120 | 6587.26 | Coda, A.; Della Giusta, A.; Tazzoli, V. The structure of synthetic andersonite, Na2Ca[UO2(CO3)3].x(H2O) (x~5.6) Note: anisotropic displacement factors are from ICSD Note: B(2,2) for C2 changed to reproduce Biso and make positive definite Acta Crystallographica, Section B, 1981, 37, 1496-1500 |
| 9007646 | CIF | Ba0.1 Fe0.52 K0.66 Mg0.12 Na0.02 O8 Ti3.36 | I 4/m | 10.139; 10.139; 2.9664 90; 90; 90 | 304.944 | Post, J. E.; Von Dreele, R. B.; Buseck, P. R. Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1982, 38, 1056-1065 |
| 9007647 | CIF | Al0.08 Fe0.16 K0.65 Mn3.76 Na0.11 O8 Sr0.08 | I 1 2/m 1 | 9.956; 2.8705; 9.706 90; 90.95; 90 | 277.347 | Post, J. E.; Von Dreele, R. B.; Buseck, P. R. Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: -1M polytype Note: Anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1982, 38, 1056-1065 |
| 9007648 | CIF | Al0.12 Ba0.34 Fe0.64 Mn3.24 O8 Pb0.08 | I 1 2/m 1 | 10.026; 2.8782; 9.729 90; 91.03; 90 | 280.703 | Post, J. E.; Von Dreele, R. B.; Buseck, P. R. Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1982, 38, 1056-1065 |
| 9007649 | CIF | Na0.5 O13 Si3 Y4.5 | P 63/m | 9.334; 9.334; 6.759 90; 90; 120 | 509.975 | Gunawardane, R. P.; Howie, R. A.; Glasser, F. P. Structure of the oxyapatite NaY9(SiO4)6O2 Note: apatite structure Acta Crystallographica, Section B, 1982, 38, 1564-1566 |
| 9007650 | CIF | Fe S | P -6 2 c | 5.963; 5.963; 11.754 90; 90; 120 | 361.948 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 0.0001 GPa Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 9007651 | CIF | Fe S | P -6 2 c | 5.999; 5.999; 11.71 90; 90; 120 | 364.96 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 393 K, P = 0.0001 GPa Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 9007652 | CIF | Fe S | P -6 2 c | 5.861; 5.861; 11.577 90; 90; 120 | 344.406 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 3.33 GPa Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 9007653 | CIF | Fe S | P n m a | 5.825; 3.4675; 6.0059 90; 90; 90 | 121.308 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 9007654 | CIF | Fe S | P n m a | 5.716; 3.347; 5.797 90; 90; 90 | 110.905 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 9007655 | CIF | Fe S | P n m a | 5.65; 3.3155; 5.7426 90; 90; 90 | 107.574 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 6.35 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 9007656 | CIF | C2 H5 Na3 O8 | C 1 2/c 1 | 20.36; 3.48; 10.29 90; 106.48; 90 | 699.124 | Choi, C. S.; Mighell, A. D. Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 disordered model, this is the prefered model Acta Crystallographica, Section B, 1982, 38, 2874-2876 |
| 9007657 | CIF | C2 H5 Na3 O8 | C 1 2/c 1 | 20.36; 3.48; 10.29 90; 106.48; 90 | 699.124 | Choi, C. S.; Mighell, A. D. Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 ordered model, this is least favoured Acta Crystallographica, Section B, 1982, 38, 2874-2876 |
| 9007658 | CIF | B5 Ca H10 Na O14 | P 1 21/c 1 | 6.588; 12.56; 13.428 90; 99.97; 90 | 1094.32 | Menchetti, S.; Sabelli, C.; Trosti-Ferroni R Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement Acta Crystallographica, Section B, 1982, 38, 3072-3075 |
| 9007659 | CIF | Ni53 S54 | P 31 2 1 | 10.29; 10.29; 15.993 90; 90; 120 | 1466.53 | Collin, G.; Chavant, C.; Comes, R. Structure and planar faults in the defective NiAs-type compound Ni17S18 Acta Crystallographica, Section B, 1983, 39, 289-296 |
| 9007660 | CIF | Mo S2 | P 63/m m c | 3.161; 3.161; 12.295 90; 90; 120 | 106.392 | Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 2H polytype, this is the most common in nature Acta Crystallographica, Section B, 1983, 39, 404-407 |
| 9007661 | CIF | Mo S2 | R 3 m :H | 3.163; 3.163; 18.37 90; 90; 120 | 159.162 | Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype Acta Crystallographica, Section B, 1983, 39, 404-407 |
| 9007662 | CIF | As Co | P n a m | 5.2857; 5.8675; 3.4883 90; 90; 90 | 108.186 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007663 | CIF | As Co | P n a 21 | 5.2857; 5.8675; 3.4883 90; 90; 90 | 108.186 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007664 | CIF | As Co | P n a m | 5.2675; 5.815; 3.4623 90; 90; 90 | 106.052 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.80 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007665 | CIF | As Co | P n a m | 5.2631; 5.801; 3.4569 90; 90; 90 | 105.543 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 3.70 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007666 | CIF | As Co | P n a m | 5.2575; 5.7782; 3.4453 90; 90; 90 | 104.664 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.90 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007667 | CIF | As Fe | P n a 21 | 5.4401; 6.0259; 3.3712 90; 90; 90 | 110.513 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007668 | CIF | As Fe | P n a m | 5.4401; 6.0259; 3.3712 90; 90; 90 | 110.513 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007669 | CIF | As Fe | P n a m | 5.424; 5.9948; 3.3386 90; 90; 90 | 108.557 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.25 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007670 | CIF | As Fe | P n a m | 5.411; 5.9671; 3.3122 90; 90; 90 | 106.944 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.36 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007671 | CIF | As Fe | P n a m | 5.403; 5.9488; 3.2902 90; 90; 90 | 105.752 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 6.10 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007672 | CIF | As Fe | P n a m | 5.39; 5.928; 3.2662 90; 90; 90 | 104.361 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 8.3 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
| 9007673 | CIF | Mn O3 Ti | R -3 :H | 5.139; 5.139; 14.283 90; 90; 120 | 326.669 | Kidoh, K.; Tanaka, K.; Marumo, F.; Takei, H. Electron density distribution in ilmenite-type crystals. II. Manganese (II) titanium (IV) trioxide Sample: ilmenite structure Acta Crystallographica, Section B, 1984, 40, 329-332 |
| 9007674 | CIF | H16 Mg N O10 P | P m n 21 | 6.955; 6.142; 11.218 90; 90; 90 | 479.206 | Ferraris, G.; Fuess, H.; Joswig, W. Neutron diffraction study of MgNH4PO4*6H2O (struvite) and survey of water molecules donating short hydrogen bonds Acta Crystallographica, Section B, 1986, 42, 253-258 |
| 9007675 | CIF | B H3 O3 | P -1 | 7.0187; 7.035; 6.3472 92.49; 101.46; 119.76 | 262.901 | Gajhede, M.; Larsen, S.; Rettrup, S. Electron density of orthoboric acid determined by X-ray diffraction at 105 K and ab initio calculations Note: multipole refinement Acta Crystallographica, Section B, 1986, 42, 545-552 |
| 9007676 | CIF | Al1.5 H4 Na1.875 O6.125 S1.125 Si1.5 | I -4 3 m | 9.0338; 9.0338; 9.0338 90; 90; 90 | 737.244 | Tarling, S. E.; Barnes, P.; Klinowski, J. The structure and Si,Al distribution of the ultramarines Note: disordered synthetic counterpart to lazurite Note: occupancies changed to match formula Acta Crystallographica, Section B, 1988, 44, 128-135 |
| 9007677 | CIF | As3 Ni8.499 O16 | R -3 m :R | 9.8105; 9.8105; 9.8105 35.312; 35.312; 35.312 | 281.837 | Fleet, M. E.; Barbier, J. Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series Acta Crystallographica, Section B, 1989, 45, 201-205 |
| 9007678 | CIF | Ge3 Mg5.467 Ni4.533 O16 | R -3 m :R | 10.125; 10.125; 10.125 33.79; 33.79; 33.79 | 286.075 | Fleet, M. E.; Barbier, J. Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series Acta Crystallographica, Section B, 1989, 45, 201-205 |
| 9007679 | CIF | K O5 P Ti | P n a 21 | 12.819; 6.399; 10.584 90; 90; 90 | 868.193 | Thomas, P. A.; Glazer, A. M.; Watts, B. E. Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure Acta Crystallographica, Section B, 1990, 46, 333-343 |
| 9007680 | CIF | K O5 P Sn | P n a 21 | 13.145; 6.526; 10.738 90; 90; 90 | 921.151 | Thomas, P. A.; Glazer, A. M.; Watts, B. E. Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure Acta Crystallographica, Section B, 1990, 46, 333-343 |
| 9007681 | CIF | C4 H3 Na5 O12 | P -1 | 3.4762; 10.0393; 15.5969 107.77; 95.589; 95.028 | 511.906 | Fernandes, N. G.; Tellgren, R.; Olovsson, I. Structure and electron density of pentasodium trihydrogentetracarbonate Note: anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1990, 46, 466-474 |
| 9007682 | CIF | Co S2 | P a -3 | 5.5385; 5.5385; 5.5385 90; 90; 90 | 169.893 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model Acta Crystallographica, Section B, 1991, 47, 650-659 |
| 9007683 | CIF | Ni S2 | P a -3 | 5.6765; 5.6765; 5.6765 90; 90; 90 | 182.912 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model, T = 135 K Acta Crystallographica, Section B, 1991, 47, 650-659 |
| 9007684 | CIF | As2 Ni3 O8 | P 1 21/c 1 | 5.764; 9.559; 10.194 90; 92.95; 90 | 560.925 | Barbier, J.; Frampton, C. Structures of orthorhombic and monoclinic Ni3(AsO4)2 Note: AnisoU's taken from ICSD Acta Crystallographica, Section B, 1991, 47, 457-462 |
| 9007685 | CIF | As2 Ni3 O8 | C m c e | 5.943; 11.263; 8.164 90; 90; 90 | 546.466 | Barbier, J.; Frampton, C. Structures of orthorhombic and monoclinic Ni3(AsO4)2 Note: AnisoU's taken from ICSD Note: polymorph of xanthiosite Acta Crystallographica, Section B, 1991, 47, 457-462 |
| 9007689 | CIF | C Ca O3 | R -3 c :H | 4.988; 4.988; 17.068 90; 90; 120 | 367.761 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Acta Crystallographica, Section B, 1995, 51, 929-939 |
| 9007690 | CIF | C Mn O3 | R -3 c :H | 4.772; 4.772; 15.637 90; 90; 120 | 308.379 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Sample: Synchrotron data Acta Crystallographica, Section B, 1995, 51, 929-939 |
| 9007692 | CIF | C Mg O3 | R -3 c :H | 4.632; 4.632; 15.002 90; 90; 120 | 278.751 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Acta Crystallographica, Section B, 1995, 51, 929-939 |
| 9007694 | CIF | Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 | P 1 21 1 | 5.709; 5.707; 5.708 90; 90.01; 90 | 185.974 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 1 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904 |
| 9007695 | CIF | Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 | P 1 21 1 | 5.704; 5.703; 5.704 90; 89.99; 90 | 185.551 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 2 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904 |
| 9007697 | CIF | Cu6 O8 Pb | F m -3 m | 9.314; 9.314; 9.314 90; 90; 90 | 807.995 | Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at ambient conditions Acta Crystallographica, Section B, 2000, 56, 22-26 |
| 9007698 | CIF | Cu6 O8 Pb | F m -3 m | 8.623; 8.623; 8.623 90; 90; 90 | 641.173 | Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at high pressure Acta Crystallographica, Section B, 2000, 56, 22-26 |
| 9007701 | CIF | Al2 Mn3 O12 Si3 | I a -3 d | 11.63; 11.63; 11.63 90; 90; 90 | 1573.04 | Gramaccioli, C. M.; Pilati, T.; Demartin, F. Atomic displacement parameters for spessartine Mn3Al2Si3O12 and their lattice-dynamical interpretation Acta Crystallographica, Section B, 2002, 58, 965-969 |
| 9007703 | CIF | As D9 O10 U | P 4/n c c :2 | 7.1615; 7.1615; 17.639 90; 90; 90 | 904.653 | Fitch, A. N.; Bernard, L.; Howe, A. T.; Wright, A. F.; Fender, B. E. F. The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction Locality: synthetic Acta Crystallographica, Section C, 1983, 39, 159-162 |
| 9007704 | CIF | S2 Sb Tl | P -1 | 6.123; 6.293; 11.838 101.34; 98.39; 103.21 | 426.612 | Rey, N.; Jumas, J. C.; Olivier-Fourcade J; Philippot, E. Sur les composes III-V-VI: Etude structurale du disulfure d'antimoine et de thallium, TlSbS2 Acta Crystallographica, Section C, 1983, 39, 971-974 |
| 9007705 | CIF | Br0.36 Cl0.64 Cu6 O7.52 Pb | F m -3 m | 9.224; 9.224; 9.224 90; 90; 90 | 784.798 | Dubler, E.; Vedani, A.; Oswald, H. R. New structure determination of murdochite, Cu6PbO8 Acta Crystallographica, Section C, 1983, 39, 1143-1146 |
| 9007706 | CIF | Fe3 O4 | F d -3 m :2 | 8.3969; 8.3969; 8.3969 90; 90; 90 | 592.048 | Fleet, M. E. The structure of magnetite: two annealed natural magnetites, Fe3.005O4 and Fe2.96Mg0.04O4 Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days Acta Crystallographica, Section C, 1984, 40, 1491-1493 |
| 9007707 | CIF | Fe2.961 Mg0.039 O4 | F d -3 m :2 | 8.3975; 8.3975; 8.3975 90; 90; 90 | 592.175 | Fleet, M. E. The structure of magnetite: two annealed natural magnetites, Fe3.005O4 and Fe2.96Mg0.04O4 Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days Acta Crystallographica, Section C, 1984, 40, 1491-1493 |
| 9007708 | CIF | C13 H10 | P n m a | 8.365; 18.745; 5.654 90; 90; 90 | 886.558 | Gerkin, R. E.; Lundstedt, A. P.; Reppart, W. J. Structure of fluorene, C~13~H~10~, at 159 K Acta Crystallographica Section C, 1984, 40, 1892-1894 |
| 9007709 | CIF | As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H18 La0.04 Nd0.01 O21 Y0.31 | P 63/m | 13.583; 13.583; 5.895 90; 90; 120 | 941.902 | Aruga, A.; Nakai, I. Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Locality: Setoda, Hiroshima, Japan Acta Crystallographica, Section C, 1985, 41, 161-163 |
| 9007710 | CIF | O Pb | P b c m | 5.8931; 5.4904; 4.7528 90; 90; 90 | 153.779 | Hill, R. J. Refinement of the structure of orthorhombic PbO (massicot) by Rietveld analysis of neutron powder diffraction data Acta Crystallographica, Section C, 1985, 41, 1281-1284 |
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