Crystallography Open Database
Search results
Result: there are 10570 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
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 |
|---|---|---|---|---|---|---|
| 9011275 | CIF | Ag Cu S | C m c 21 | 4.059; 6.617; 7.967 90; 90; 90 | 213.981 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 298 K Acta Crystallographica, Section B, 1991, 47, 891-899 |
| 9011276 | CIF | Ag Cu S | P m c 21 | 4.047; 6.592; 7.93 90; 90; 90 | 211.555 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 120 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B, 1991, 47, 891-899 |
| 9011277 | CIF | Ag Cu S | P m c 21 | 4.0431; 6.591; 7.9149 90; 90; 90 | 210.917 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 13 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B, 1991, 47, 891-899 |
| 9011278 | CIF | Au Te2 | C 1 2/m 1 | 7.189; 4.407; 5.069 90; 89.96; 90 | 160.596 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011279 | CIF | Au Te2 | C 1 2/m 1 | 7.189; 4.407; 5.069 90; 89.96; 90 | 160.596 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011280 | CIF | Au Te2 | C 1 2/m 1 | 7.171; 4.385; 5.064 90; 90.04; 90 | 159.237 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011281 | CIF | Au Te2 | C 1 2/m 1 | 7.164; 4.371; 5.064 90; 90; 90 | 158.573 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011282 | CIF | Au Te2 | C 1 2/m 1 | 7.129; 4.314; 5.036 90; 90.15; 90 | 154.879 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011283 | CIF | Au Te2 | C 1 2/m 1 | 7.11; 4.29; 5.05 90; 90.3; 90 | 154.032 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011284 | CIF | Au Te2 | C 1 2/m 1 | 7.1; 4.286; 5.029 90; 90.3; 90 | 153.033 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011285 | CIF | Au Te2 | C 1 2/m 1 | 7.1; 4.221; 5.029 90; 90.4; 90 | 150.711 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011286 | CIF | Au Te2 | P -3 m 1 | 4.1; 4.1; 5.021 90; 90; 120 | 73.095 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011287 | CIF | Au Te2 | P -3 m 1 | 4.078; 4.078; 5 90; 90; 120 | 72.01 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011288 | CIF | H12 Ni O10 S | P 43 21 2 | 6.7778; 6.7778; 18.176 90; 90; 90 | 834.979 | Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J. Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD Acta Crystallographica, Section B, 1993, 49, 192-201 |
| 9011289 | CIF | Ni O10 S | P 43 21 2 | 6.7778; 6.7778; 18.176 90; 90; 90 | 834.979 | Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J. Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement Acta Crystallographica, Section B, 1993, 49, 192-201 |
| 9011290 | CIF | F6 K2 Si | F m -3 m | 8.1419; 8.1419; 8.1419 90; 90; 90 | 539.731 | Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .9 angstroms Acta Crystallographica, Section B, 1993, 49, 967-973 |
| 9011291 | CIF | F6 K2 Si | F m -3 m | 8.1419; 8.1419; 8.1419 90; 90; 90 | 539.731 | Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .7 angstroms Acta Crystallographica, Section B, 1993, 49, 967-973 |
| 9011292 | CIF | F6 K2 Si | F m -3 m | 8.1419; 8.1419; 8.1419 90; 90; 90 | 539.731 | Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: Mo K-alpha Acta Crystallographica, Section B, 1993, 49, 967-973 |
| 9011293 | CIF | Cl6 K2 Pd | F m -3 m | 8.1419; 8.1419; 8.1419 90; 90; 90 | 539.731 | Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Acta Crystallographica, Section B, 1993, 49, 967-973 |
| 9011296 | CIF | Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti | P 1 | 10.37; 23.129; 5.322 90; 99.55; 90 | 1258.78 | Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y. Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia Acta Crystallographica, Section B, 1998, 54, 109-114 |
| 9011298 | CIF | H34 O40 U8 | P b c n | 14.6861; 13.9799; 16.7063 90; 90; 90 | 3429.97 | Weller, M. T.; Light, M. E.; Gelbrich, T. Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite (UO2)4O(OH)6*5H2O Sample: T = 150 K Acta Crystallographica, Section B, 2000, 56, 577-583 |
| 9011299 | CIF | Al3 H21.52 N2.38 Na0.26 O20.64 Si5 | P 1 21/m 1 | 10.0507; 14.2016; 8.7281 90; 125.123; 90 | 1018.97 | Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1 Acta Crystallographica, Section B, 2000, 56, 584-593 |
| 9011300 | CIF | Al2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8 | P 1 21/m 1 | 10.0122; 14.1943; 8.7284 90; 125.024; 90 | 1015.82 | Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2 Acta Crystallographica, Section B, 2000, 56, 584-593 |
| 9011301 | CIF | Al1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1 | P 1 21/m 1 | 9.9596; 14.2015; 8.7051 90; 124.99; 90 | 1008.71 | Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3 Acta Crystallographica, Section B, 2000, 56, 584-593 |
| 9011304 | CIF | C Na2 O3 | C 1 2/m 1 | 8.92; 5.245; 6.05 90; 101.35; 90 | 277.516 | Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V. Sodium carbonate revisited Sample: Gamma phase, T = 295 K Acta Crystallographica, Section B, 2003, 59, 337-352 |
| 9011305 | CIF | C Na2 O3 | C 1 2/m 1 | 8.898; 5.237; 5.996 90; 101.87; 90 | 273.432 | Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V. Sodium carbonate revisited Sample: Delta phase, T = 110 K Acta Crystallographica, Section B, 2003, 59, 337-352 |
| 9011308 | CIF | Ag12.226 As1.192 Cu3.772 S11 Sb0.808 | P -3 m 1 | 7.389; 7.389; 11.816 90; 90; 120 | 558.692 | Bindi, L.; Evain, M.; Menchetti, S. Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 15 K Acta Crystallographica, Section B, 2006, 62, 212-219 |
| 9011309 | CIF | Ag13.646 As1.179 Cu2.966 S11 Sb0.821 | P -3 m 1 | 7.3721; 7.3721; 11.8104 90; 90; 120 | 555.876 | Bindi, L.; Evain, M.; Menchetti, S. Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 120 K Acta Crystallographica, Section B, 2006, 62, 212-219 |
| 9011310 | CIF | Ag13.032 As1.18 Cu2.968 S11 Sb0.82 | P -3 m 1 | 7.3876; 7.3876; 11.8882 90; 90; 120 | 561.893 | Bindi, L.; Evain, M.; Menchetti, S. Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 300 K Acta Crystallographica, Section B, 2006, 62, 212-219 |
| 9011311 | CIF | Na O3.5 Si1.5 | C 1 2/c 1 | 20.416; 6.4987; 4.9294 90; 90.26; 90 | 654.014 | Kruger, H.; Kahlenberg, V.; Friese, K. Na2Si3O7: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal Acta Crystallographica, Section B, 2006, 62, 440-446 |
| 9011312 | CIF | Ag29.629 Cu2.371 S22 Sb4 | C 1 2/c 1 | 26.188; 15.1199; 23.784 90; 90; 90 | 9417.51 | Evain, M.; Bindi, L.; Menchetti, S. Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 100 K Sample: polytype 222 Acta Crystallographica, Section B, 2006, 62, 447-456 |
| 9011313 | CIF | Ag29.04 Cu2.96 S22 Sb4 | P 3 2 1 | 15.0954; 15.0954; 11.8825 90; 90; 120 | 2344.92 | Evain, M.; Bindi, L.; Menchetti, S. Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221 Acta Crystallographica, Section B, 2006, 62, 447-456 |
| 9011314 | CIF | H2 Ni O2 | P -3 m 1 | 3.12; 3.12; 4.61 90; 90; 120 | 38.863 | Ramesh, T. N.; Kamath, P. V.; Shivakumara, C. Classification of stacking faults and their stepwise elemination during the disorder -> order transformation of nickel hydroxide Acta Crystallographica, Section B, 2006, 62, 530-536 |
| 9011315 | CIF | Ca2 Co0.9 O7 Si2 Zn0.1 | P -4 | 23.518; 23.518; 5.0263 90; 90; 90 | 2780.03 | Jia, Z. H.; Schaper, A. K.; Massa, W.; Treutmann, W.; Rager, H. Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution crystals Acta Crystallographica, Section B, 2006, 62, 547-555 |
| 9011317 | CIF Paper | Ag16.08 As0.34 Cu1.84 S8.34 Sb1.66 Se2.66 | P -3 m 1 | 7.595; 7.595; 12.0731 90; 90; 120 | 603.122 | Evain, M.; Bindi, L.; Menchetti, S. Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~] Acta Crystallographica Section B, 2006, 62, 768-774 |
| 9011318 | CIF Paper | Ag14.691 Cu1.309 S8.37 Sb2 Se2.63 | P 1 21/c 1 | 13.1426; 7.5879; 23.729 90; 90; 90 | 2366.37 | Evain, M.; Bindi, L.; Menchetti, S. Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~] Acta Crystallographica Section B, 2006, 62, 768-774 |
| 9011319 | CIF | Cu0.298 Pb0.95 S3.36 Sb0.408 Sn0.851 | C -1 | 3.6661; 6.3138; 11.9028 92.49; 90.59; 89.986 | 275.24 | Evain, M.; Petricek, V.; Moelo, Y.; Maurel, C. First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals Acta Crystallographica, Section B, 2006, 62, 775-789 |
| 9011321 | CIF | Cl2 Cu3 H6 Mg O6 | P -3 m 1 | 6.2733; 6.2733; 5.7472 90; 90; 120 | 195.875 | Malcherek, T.; Schluter, J. Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond Acta Crystallographica, Section B, 2007, 63, 157-160 |
| 9011322 | CIF | Cl H6 Mg0.5 O2 | C m c m | 4.21616; 11.023; 7.2951 90; 90; 90 | 339.038 | Sugimoto, K.; Dinnebier, R. E.; Hanson, J. C. Structures of three dehydration products of bischofite from in situ synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4) Acta Crystallographica, Section B, 2007, 63, 235-242 |
| 9011327 | CIF | K0.778 Mg0.388 O8 Ti3.612 | I 4/m | 10.1541; 10.1541; 2.9735 90; 90; 90 | 306.585 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 1 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011328 | CIF | K0.774 Mg0.384 O8 Ti3.616 | I 4/m | 10.1541; 10.1541; 2.9735 90; 90; 90 | 306.585 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 2 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011329 | CIF | K0.765 Mg0.383 O8 Ti3.617 | I 4/m | 10.1541; 10.1541; 2.9735 90; 90; 90 | 306.585 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 3 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011330 | CIF | K0.77 Mg0.385 O8 Ti3.615 | I 4/m | 10.1541; 10.1541; 2.9735 90; 90; 90 | 306.585 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 4 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011331 | CIF | Mg0.377 O8 Rb0.754 Ti3.623 | I 4/m | 10.2052; 10.2052; 2.9717 90; 90; 90 | 309.491 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 5 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011332 | CIF | Mg0.377 O8 Rb0.754 Ti3.623 | I 4/m | 10.2052; 10.2052; 2.9717 90; 90; 90 | 309.491 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 6 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011333 | CIF | Mg0.375 O8 Rb0.751 Ti3.625 | I 4/m | 10.2052; 10.2052; 2.9717 90; 90; 90 | 309.491 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 7 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011334 | CIF | Mg0.376 O8 Rb0.751 Ti3.624 | I 4/m | 10.2052; 10.2052; 2.9717 90; 90; 90 | 309.491 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 8 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011335 | CIF | Mg0.378 O8 Rb0.756 Ti3.622 | I 4/m | 10.2052; 10.2052; 2.9717 90; 90; 90 | 309.491 | Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 9 Acta Crystallographica, Section B, 2007, 63, 577-583 |
| 9011338 | CIF | Al7 Ca6 O16.348 | I -4 3 d | 12.0449; 12.0449; 12.0449 90; 90; 90 | 1747.47 | Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Sample: T = 1223 K Acta Crystallographica, Section B, 2007, 63, 675-682 |
| 9011379 | CIF | Cl5 Fe H2 K2 O | P n m a | 13.452; 9.631; 7.003 90; 90; 90 | 907.282 | Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .1 MPa Sample: T = 15 K Acta Crystallographica, Section B, 1995, 51, 43-47 |
| 9011380 | CIF | Cl5 Fe H2 K2 O | P n m a | 13.391; 9.648; 6.942 90; 90; 90 | 896.881 | Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .14 GPa Sample: T = 15 K Acta Crystallographica, Section B, 1995, 51, 43-47 |
| 9013161 | CIF | Fe4 H4 K2 Mg2 Na2 O30 Si8 Ti2 | A 1 2 1 | 10.37; 23.129; 5.322 90; 99.55; 90 | 1258.78 | Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y. Structure Refinement of Monoclinic Astrophyllite Acta Crystallographica Section B, 1998, 54, 109-114 |
| 9013392 | CIF | Mo Ni P | P -6 2 m | 5.861; 5.861; 3.704 90; 90; 120 | 110.191 | Guerin, R.; Sergent, M. Structure cristalline de NiMoP Localite: synthetic Acta Crystallographica, Section B, 1977, 33, 2820-2823 |
| 9013393 | CIF | O2 Si | F 1 | 9.932; 17.216; 81.864 90; 90; 90 | 13997.9 | Konnert, J. H.; Appleman, D. E. The crystal structure of low tridymite Acta Crystallographica, Section B, 1978, 34, 391-403 |
| 9013394 | CIF | Sb | R -3 m :H | 4.214; 4.214; 10.569 90; 90; 120 | 162.538 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.3 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013395 | CIF | Sb | R -3 m :H | 4.21; 4.21; 10.53 90; 90; 120 | 161.63 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.8 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013396 | CIF | Sb | R -3 m :H | 4.198; 4.198; 10.485 90; 90; 120 | 160.024 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.15 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013397 | CIF | Sb | R -3 m :H | 4.196; 4.196; 10.455 90; 90; 120 | 159.414 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.7 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 9013398 | CIF | Mg2 O4 Ti | F d -3 m :2 | 8.4376; 8.4376; 8.4376 90; 90; 90 | 600.699 | 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 |
| 9013890 | CIF | B2 Cu O4 | I -4 2 d | 11.484; 11.484; 5.62 90; 90; 90 | 741.178 | Martinez-Ripoll M; Martinez-Carrera S; Garcia-Blanco S The crystal structure of copper metaborate, CuB2O4 Acta Crystallographica, Section B, 1971, 27, 677-681 |
| 9013891 | CIF | Ba Cl F | P 4/n m m :2 | 4.3939; 4.3939; 7.2248 90; 90; 90 | 139.485 | Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787 |
| 9013892 | CIF | Cl F Sr | P 4/n m m :2 | 4.1259; 4.1259; 6.9579 90; 90; 90 | 118.445 | Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787 |
| 9013893 | CIF | Al3.88 Ge4.12 K0.76 Na3.12 O16 | P 63 | 10.164; 10.164; 8.54 90; 90; 120 | 764.043 | Hammond, R. P.; Barbier, J. Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4 Note: hexagonal nepheline Acta Crystallographica, Section B, 1998, 54, 211-220 |
| 9014079 | CIF | Fe3 H20 K5 O35 S6 | P 1 21/c 1 | 9.491; 18.474; 18.109 90; 92.38; 90 | 3172.43 | Mereiter, K.; Vollenkle, H. Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato- triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des Masschen Salzes Acta Crystallographica, Section B, 1978, 34, 378-384 |
| 9014118 | CIF | Na Nb O3 | P b m a | 5.566; 15.52; 5.506 90; 90; 90 | 475.632 | Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D. The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures Acta Crystallographica, Section B, 1969, 25, 851-865 |
| 9014162 | CIF | O3 Sn Sr | P b n m | 5.707; 5.707; 8.064 90; 90; 90 | 262.643 | Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
| 9014175 | CIF | O2 Pb | P 42/m n m | 4.9577; 4.9577; 3.3879 90; 90; 90 | 83.27 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 9014308 | CIF | Al6 Ca8.5 Na O18 | P b c a | 10.875; 10.859; 15.105 90; 90; 90 | 1783.77 | Nishi, F.; Takeuchi, Y. The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18 Acta Crystallographica, Section B, 1975, 31, 1169-1173 |
| 9014330 | CIF | Hg I2 | P 42/n m c :2 | 4.365; 4.365; 12.389 90; 90; 90 | 236.05 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 200 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014372 | CIF | Al6 B3 F Fe3 Na O30 Si6 | R 3 m :H | 15.869; 15.869; 7.188 90; 90; 120 | 1567.61 | Barton, R. Refinement of the crystal structure of buergerite and the absolute orientation of tourmalines Acta Crystallographica, Section B, 1969, 25, 1524-1533 |
| 9014392 | CIF | Ca N2 O10 | P 1 21/n 1 | 6.277; 9.157; 14.484 90; 98.6; 90 | 823.158 | Ribar, B.; Divjakovic, V.; Herak, R.; Prelesnik, B. A new crystal structure study of Ca(NO3)2*(H2O) Acta Crystallographica, Section B, 1973, 29, 1546-1548 |
| 9014425 | CIF | Al4 Ca O7 | C 1 2/c 1 | 12.8398; 8.8624; 5.4311 90; 106.83; 90 | 591.542 | Goodwin, D. W.; Lindop, A. J. The crystal structure of CaO.2Al2O3 Acta Crystallographica, Section B, 1970, 26, 1230-1235 |
| 9014434 | CIF | Hg I2 | P 42/n m c :2 | 4.359; 4.359; 12.319 90; 90; 90 | 234.072 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 60 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014462 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.306 90; 90; 90 | 233.718 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 30 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014545 | CIF | C H K O3 | P 1 21/a 1 | 15.1725; 5.6283; 3.711 90; 104.631; 90 | 306.626 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014580 | CIF | Cu O | C 1 2/c 1 | 4.6837; 3.4226; 5.1288 90; 99.54; 90 | 81.08 | Asbrink, S.; Norrby, L. J. A refinement of the crystal structure of copper(II) oxide, with a discussion of some exceptional E.s.d.'s Acta Crystallographica, Section B, 1970, 26, 8-15 |
| 9014630 | CIF | Mn2 O4 Si | P b n m | 4.9023; 10.5964; 6.2567 90; 90; 90 | 325.015 | Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518 |
| 9014655 | CIF | Hg I2 | P 42/n m c :2 | 4.37; 4.37; 12.437 90; 90; 90 | 237.508 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014660 | CIF | C D K O3 | P 1 21/a 1 | 15.1948; 5.6307; 3.7107 90; 104.567; 90 | 307.272 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014704 | CIF | Cl Cu2 H3 O3 | P 1 21/n 1 | 6.1675; 6.8327; 9.1517 90; 99.492; 90 | 380.379 | Malcherek, T.; Schluter, J. Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Note: Sample #1 Acta Crystallographica, Section B, 2009, 65, 334-341 |
| 9014807 | CIF | Al3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291 | R -3 m :R | 9.421; 9.421; 9.421 94.2; 94.2; 94.2 | 829.077 | Calligaris, M.; Nardin, G.; Randaccio, L. Cation-site location in a natural chabazite Acta Crystallographica, Section B, 1982, 38, 602-605 |
| 9014844 | CIF | C D K O3 | P 1 21/a 1 | 15.17; 5.6183; 3.6885 90; 104.297; 90 | 304.633 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014907 | CIF | C2 H5 N O | R 3 c :H | 11.513; 11.513; 12.883 90; 90; 120 | 1478.85 | Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A. Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Acta Crystallographica, Section B, 1980, 36, 2292-2299 |
| 9015024 | CIF | Mg0.125 O1.872 Zr0.875 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111] Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015028 | CIF | B F4 H4 N | P n m a | 9.077; 5.679; 7.279 90; 90; 90 | 375.22 | Caron, A. P.; Ragle, J. L. Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4 Acta Crystallographica, Section B, 1971, 27, 1102-1107 |
| 9015117 | CIF | O0.984 Y0.065 Zr0.935 | P 42/n m c | 3.6055; 3.6055; 5.1797 90; 90; 90 | 67.334 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015119 | CIF | N4 O14 P2 Te | P -1 | 11.51; 6.484; 6.329 118.15; 105.8; 84.36 | 400.48 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447 |
| 9015122 | CIF | Bi2 Pb3 S6 | B b m m | 13.535; 20.451; 4.104 90; 90; 90 | 1136.01 | Takagi, J.; Takeuchi, Y. The crystal structure of lillianite Acta Crystallographica, Section B, 1972, 28, 649-651 |
| 9015312 | CIF | As2 Ca H4 O8 | P -1 | 8.558; 7.697; 5.721 92.35; 109.52; 109.59 | 329.621 | Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron diffraction study of the crystal structure of calcium bis(dihydrogen arsenate), Ca(H2AsO4)2 Acta Crystallographica, Section B, 1972, 28, 2430-2437 |
| 9015318 | CIF | Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88 | P 4/m c c | 7.58; 7.58; 14.77 90; 90; 90 | 848.631 | Prichard, P.; Perrault, G. Structure cristalline de l'ekanite de St-Hilaire, P.Q. Acta Crystallographica, Section B, 1972, 28, 1994-1999 |
| 9015332 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.3 90; 90; 90 | 233.604 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015404 | CIF | Ca O3 Sn | P b n m | 5.532; 5.681; 7.906 90; 90; 90 | 248.464 | Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A. The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
| 9015414 | CIF | Hg I2 | P 42/n m c :2 | 4.3675; 4.3675; 12.47 90; 90; 90 | 237.866 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015434 | CIF | Mg0.125 O1.872 Zr0.875 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100] Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015520 | CIF | Ca17 N34 O122.96 | P 63/m | 13.226; 13.226; 32.37 90; 90; 120 | 4903.77 | Leclaire, A. Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235 Acta Crystallographica, Section B, 1976, 32, 1950-1953 |
| 9015643 | CIF | Mg0.096 O1.904 Zr0.904 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015662 | CIF | O2 Ti | P 42/m n m | 4.5937; 4.5937; 2.9587 90; 90; 90 | 62.435 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015676 | CIF | As H O5 Zn2 | P -1 | 5.638; 5.827; 6.692 103.25; 104.37; 87.72 | 207.268 | Hawthorne, F. C. Paradamite Acta Crystallographica, Section B, 1979, 35, 720-722 |
| 9015698 | CIF | Al6.5 Ca5 Mg0.75 O17 Si0.75 | P m m n :2 | 27.638; 10.799; 5.123 90; 90; 90 | 1529.03 | Hanic, F.; Handlovic, M.; Kapralik, I. The structure of a quaternary phase Ca20Al32-2vMgvSivO68 Acta Crystallographica, Section B, 1980, 36, 2863-2869 |
| 9015723 | CIF | Hg I2 | P 42/n m c :2 | 4.36; 4.36; 12.337 90; 90; 90 | 234.521 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!