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 |
|---|---|---|---|---|---|---|
| 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 |
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