Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9011218 | CIF | N2 | P m -3 n | 6.164; 6.164; 6.164 90; 90; 90 | 234.201 | Cromer, D. T.; Mills, R. L.; Schiferl, D.; Schwalbe, L. A. The structure of N2 at 49 kbar and 299 K Sample: at T = 299 K and P = 4.9 GPa Note: model #4 Acta Crystallographica, Section B, 1981, 37, 8-11 |
| 9011219 | CIF | Br1.012 Ca4.922 O11.965 P2.896 | P 63/m | 9.761; 9.761; 6.739 90; 90; 120 | 556.051 | Elliott, J. C.; Dykes, E.; Mackie, P. E. Structure of bromapatite and the radius of the bromide ion Acta Crystallographica, Section B, 1981, 37, 435-438 |
| 9011220 | CIF | Ca11 O18 S Si4 | I -4 m 2 | 10.461; 10.461; 8.813 90; 90; 90 | 964.429 | Dent Glasser, L. S.; Lee, C. K. The structure of jasmundite, Ca22(SiO4)8O4S2 Locality: Ettringer Feld lava flow, Bellerberg volcano, Mayen, Eifel, Germany Acta Crystallographica, Section B, 1981, 37, 803-806 |
| 9011221 | CIF | C2 Na2 O4 | P 1 21/c 1 | 3.449; 5.243; 10.375 90; 92.66; 90 | 187.41 | Reed, D. A.; Olmstead, M. M. Sodium oxalate structure refinement Sample: T = 140 K Acta Crystallographica, Section B, 1981, 37, 938-939 |
| 9011222 | CIF | Ca O3 Si | C -1 | 6.853; 11.895; 19.674 90.12; 90.55; 90 | 1603.68 | Yamanaka, T.; Mori, H. The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite) Acta Crystallographica, Section B, 1981, 37, 1010-1017 |
| 9011223 | CIF | As3 Fe3 H24 O26 Zn2 | C 1 m 1 | 11.415; 11.259; 8.661 90; 107.74; 90 | 1060.19 | Ginderow, D.; Cesbron, F. Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1040-1043 |
| 9011224 | CIF | C2 H10 Mg0.773 Mn3.684 O16 Zn2.543 | A 1 2/a 1 | 16.408; 5.54; 15.15 90; 95.48; 90 | 1370.85 | Hill, R. J. The structure of loseyite Note: AnisoU's from ICSD Acta Crystallographica, Section B, 1981, 37, 1323-1328 |
| 9011225 | CIF | As3 Fe H10 O17 | P 1 21/n 1 | 15.25; 19.6; 4.72 90; 91.8; 90 | 1410.11 | Boudjada, A.; Guitel, J. C. Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe(H2AsO4)3*5H2O Locality: synthetic Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1402-1405 |
| 9011226 | CIF | As0.185 Ca0.192 Fe0.348 H Mn5.772 O19 Si5 V0.815 | P 1 21/n 1 | 6.712; 28.948; 7.578 90; 95.4; 90 | 1465.86 | Gramaccioli, C. M.; Liborio, G.; Pilati, T. Structure of medaite, Mn6[VSi5O18(OH)]: The presence of a new kind of heteropolysilicate anion Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1972-1978 |
| 9011227 | CIF | B Cl H4 Na2 O4 | P 4/n m m :2 | 7.26; 7.26; 4.847 90; 90; 90 | 255.474 | Effenberger, H. Verfeinerung der kristallstruktur von synthetischem teepleit Acta Crystallographica, Section B, 1982, 38, 82-85 |
| 9011228 | CIF | Al13 Cl F4 H14 O34 Si5 | F -4 3 m | 13.8654; 13.8654; 13.8654 90; 90; 90 | 2665.61 | Baur, W. H.; Ohta, T. The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon-oxygen bonds Locality: Quartzsite, Arizona, USA Acta Crystallographica, Section B, 1982, 38, 390-401 |
| 9011229 | CIF | Al13.25 Cl F4 H14 O34 Si4.75 | F -4 3 m | 13.8796; 13.8796; 13.8796 90; 90; 90 | 2673.81 | Baur, W. H.; Ohta, T. The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon-oxygen bonds Locality: Zuni Mine, Colorado, USA Sample: M9003 Acta Crystallographica, Section B, 1982, 38, 390-401 |
| 9011230 | CIF | As2 O12 S3 | P 1 21/c 1 | 9.389; 5.255; 19.355 90; 91.88; 90 | 954.446 | Douglade, J.; Mercier, R. Structure cristalline et covalence des liaisons dans le sulfate d'arsenic(III), As2(SO4)3 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1982, 38, 720-723 |
| 9011231 | CIF | As2 O6 S | P 21 21 2 | 4.628; 11.497; 4.776 90; 90; 90 | 254.122 | Mercier, R.; Douglade, J. Affinement de la structure avec tunnels de paires E dans un oxysulfate d'arsenic: (As2O2)(SO4) Acta Crystallographica, Section B, 1982, 38, 896-898 |
| 9011232 | CIF | C4 H16 Co N4 Na2 O8 S4 | P 1 21/n 1 | 18.941; 19.209; 5.46 90; 91.64; 90 | 1985.74 | Mereiter, K.; Preisinger, A. The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O Locality: synthetic Acta Crystallographica, Section B, 1982, 38, 1084-1088 |
| 9011233 | CIF | Cu3 O8 V2 | P -1 | 5.196; 5.355; 6.505 69.22; 88.69; 68.08 | 155.733 | Coing-Boyat J Structure de la variete ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu3(VO4)2 Acta Crystallographica, Section B, 1982, 38, 1546-1548 |
| 9011234 | CIF | As Bi O4 | P 1 21/n 1 | 6.879; 7.159; 6.732 90; 104.84; 90 | 320.471 | Bedlivy, D.; Mereiter, K. Structure of alpha-BiAsO4 (rooseveltite) Note: AnisoU's from ICSD Acta Crystallographica, Section B, 1982, 38, 1559-1561 |
| 9011235 | CIF | As2 O9 S2 | P 1 c 1 | 6.65; 6.671; 16.612 90; 94.34; 90 | 734.831 | Mercier, R.; Douglade, J. Structure cristalline d'un oxysulfate d'arsenic(III) As2O(SO4)2 (ou As2O3*(SO3)2) Note: AnisoB's from ICSD Acta Crystallographica, Section B, 1982, 38, 1731-1735 |
| 9011236 | CIF | S3 Sn2 | P n m a | 8.878; 3.751; 14.02 90; 90; 90 | 466.885 | Kniep, R.; Mootz, D.; Severin, U.; Wunderlich, H. Structure of tin(II) tin(IV) trisulphide, a redetermination Acta Crystallographica, Section B, 1982, 38, 2022-2023 |
| 9011237 | CIF | Bi H3 O6 S | P 1 21/n 1 | 6.021; 13.363; 6.495 90; 112.94; 90 | 481.25 | Graunar, M.; Lazarini, F. Di-mu-hydroxo-bis[aquasulfatobismuth(III)] Locality: synthetic Acta Crystallographica, Section B, 1982, 38, 2879-2881 |
| 9011238 | CIF | Bi2 H2 O7 S | P 1 21/c 1 | 7.692; 13.87; 5.688 90; 109.01; 90 | 573.745 | Golic, L.; Graunar, M.; Lazarini, F. catena-Di-mu-hydroxo-mu3-oxo-dibismuth(III) sulfate Acta Crystallographica, Section B, 1982, 38, 2881-2883 |
| 9011239 | CIF | As2 Ca3 H22 O19 | P -1 | 12.563; 12.181; 6.205 88.94; 91.67; 113.44 | 870.796 | Catti, M.; Ivaldi, G. On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals Acta Crystallographica, Section B, 1983, 39, 4-10 |
| 9011240 | CIF | As2 Ca3 H20 O18 | P -1 | 12.564; 12.169; 6.195 89.09; 79.69; 118.58 | 812.654 | Catti, M.; Ivaldi, G. On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals Acta Crystallographica, Section B, 1983, 39, 4-10 |
| 9011241 | CIF | Na O3 V | P n m a | 14.147; 3.6496; 5.364 90; 90; 90 | 276.948 | Kato, K.; Takayama, E. Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD Acta Crystallographica, Section B, 1984, 40, 102-105 |
| 9011242 | CIF | C2 Cu Na2 O6 | P 1 21/a 1 | 6.17; 8.171; 5.648 90; 116.24; 90 | 255.401 | Maslen, E. N.; Spadaccini, N.; Watson, K. J. Electron density in non-ideal metal complexes. II. Sodium bis(carbonato)cuprate(II) Acta Crystallographica, Section B, 1986, 42, 430-436 |
| 9011243 | CIF | H12 Ni O10 S | P 41 21 2 | 6.783; 6.783; 18.288 90; 90; 90 | 841.414 | Stadnicka, K.; Glazer, A. M.; Koralewski, M. Structure, absolute configuration and optical activity of alpha-nickel sulfate hexahydrate Locality: synthetic Note: y(O3) corrected to match reported bond lengths Acta Crystallographica, Section B, 1987, 43, 319-325 |
| 9011244 | CIF | C10 H22 O3 | F d d 2 | 18.421; 22.791; 10.912 90; 90; 90 | 4581.22 | Marsh, E. R.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011245 | CIF | C3 H3.5 N | F d d 2 | 13.635; 26.353; 6.089 89.87; 90; 90 | 2187.91 | Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011246 | CIF | C7 H10 S2 | F d d 2 | 11.419; 41.077; 6.626 90; 90; 90 | 3107.98 | Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011247 | CIF | C11 H8 Ce N18 O19 | C 1 2/c 1 | 16.05; 13.14; 16.631 90; 108.1; 90 | 3333.86 | Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011248 | CIF | C19 H9 | P 1 21/a 1 | 31.276; 3.7818; 21.663 90; 124.22; 90 | 2118.72 | Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011249 | CIF | As2 O9 S2 | P 1 21/c 1 | 6.65; 6.671; 16.612 90; 94.34; 90 | 734.831 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011250 | CIF | F7 Ho2 K | C 1 2/m 1 | 14.287; 8.004; 11.95 90; 125.33; 90 | 1114.85 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011251 | CIF | C16 H25 N O | C 1 2/c 1 | 24.28; 8.76; 14.03 90; 108; 90 | 2838.03 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011252 | CIF | As3 Cd2 I | C 1 2/c 1 | 8.436; 9.594; 7.952 90; 100.65; 90 | 632.509 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011253 | CIF | C2 Br2 O Tl | C m c m | 10.31; 8.56; 15.55 90; 90; 90 | 1372.34 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011254 | CIF | C12 Cl3 Cr2 F2 N8 O14 | P -1 | 10.71; 9.047; 8.785 111.25; 100.44; 86.6 | 780.18 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011255 | CIF | C6 H13 I S | P n a m | 18.038; 6.611; 7.42 90; 90; 90 | 884.829 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011256 | CIF | C24 H2 N2 O5 | C 1 2/c 1 | 18.943; 11.318; 24.376 90; 94.5; 90 | 5210.03 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011257 | CIF | Er2 F7 K | P n a m | 11.82; 13.333; 7.816 90; 90; 90 | 1231.77 | Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88 |
| 9011258 | CIF | Ag0.1 Au0.9 Te2 | C 1 2/m 1 | 7.1947; 4.4146; 5.0703 90; 90.038; 90 | 161.041 | Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K Acta Crystallographica, Section B, 1988, 44, 486-494 |
| 9011259 | CIF | Ag0.1 Au0.9 Te2 | C 1 2/m 1 | 7.182; 4.402; 5.056 90; 89.99; 90 | 159.846 | Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 100 K Acta Crystallographica, Section B, 1988, 44, 486-494 |
| 9011260 | CIF | Mg2 O4 Ti | P 41 2 2 | 5.9748; 5.9748; 8.414 90; 90; 90 | 300.365 | Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 773 K Acta Crystallographica, Section B, 1989, 45, 542-549 |
| 9011261 | CIF | Mg O3 Ti | R -3 :H | 5.05478; 5.05478; 13.8992 90; 90; 120 | 307.557 | Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Acta Crystallographica, Section B, 1989, 45, 542-549 |
| 9011262 | CIF | Mg0.999 O5 Ti2.001 | B b m m | 9.7289; 10.0057; 3.7416 90; 90; 90 | 364.224 | Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 973 K Acta Crystallographica, Section B, 1989, 45, 542-549 |
| 9011263 | CIF | Mg O5 Ti2 | B b m m | 9.7492; 9.9896; 3.746 90; 90; 90 | 364.825 | Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 1773 Acta Crystallographica, Section B, 1989, 45, 542-549 |
| 9011264 | CIF | D12 Ni O10 S | P 43 21 2 | 6.7803; 6.7803; 18.288 90; 90; 90 | 840.744 | McIntyre, G. J.; Ptasiewicz-Bak H; Olovsson, I. Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: neutron refinement Note: anisoU's from ICSD Acta Crystallographica, Section B, 1990, 46, 27-39 |
| 9011265 | CIF | H12 Ni O10 S | P 43 21 2 | 6.7803; 6.7803; 18.288 90; 90; 90 | 840.744 | McIntyre, G. J.; Ptasiewicz-Bak H; Olovsson, I. Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: X-ray refinement Acta Crystallographica, Section B, 1990, 46, 27-39 |
| 9011266 | CIF | Ca4 H120 Na3 O252 Si85 | P n m a | 20.078; 19.894; 13.372 90; 90; 90 | 5341.2 | van Koningsveld, H. High-temperature (350 K) orthorhombic framework structure of zeolite H-ZSM-5 Note: anisotropic thermal parameters obtained from ICSD Acta Crystallographica, Section B, 1990, 46, 731-735 |
| 9011267 | CIF | C14 H10 | P 1 21 1 | 8.441; 6.14; 9.438 90; 97.96; 90 | 484.437 | Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Locality: synthetic Acta Crystallographica, Section B, 1990, 46, 830-832 |
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