Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100023 | CIF | Ca1.5 O4 Si Sr0.5 | P m n b | 5.647; 7.037; 9.644 90; 90; 90 | 383.2 | Catti, M.; Gazzoni, G.; Ivaldi, G. Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis Acta Crystallographica, Section B: Structural Science, 1984, 40, 537-544 |
| 1100024 | CIF | Ca1.8 O4 Si Sr0.2 | P m n b | 5.647; 7.037; 9.644 90; 90; 90 | 383.2 | Catti, M.; Gazzoni, G.; Ivaldi, G. Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis Acta Crystallographica, Section B: Structural Science, 1984, 40, 537-544 |
| 1100025 | CIF | C2 Ca O6 Sr | P m c 21 | 5.214; 6.43; 7.301 90; 90; 90 | 244.8 | Shi, N.; Ma, Z.; Peng, Z. The Crystal Structure of Carbocernaite Chinese Science Bulletin, 1982, 27, 76-80 |
| 1100027 | CIF | O Sr | F m -3 m | 5.1396; 5.1396; 5.1396 90; 90; 90 | 135.8 | Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society, 1948, 70, 2043-2046 |
| 1100029 | CIF | N Ti2 | I 41/a m d :2 | 4.14; 4.14; 8.805 90; 90; 90 | 150.9 | Lobier, G; Marcon, J P Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti~2~ N Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1969, 268, 1132-1135 |
| 1100030 | CIF | N Ti2 | I 41/a m d :2 | 4.1493; 4.1493; 8.7858 90; 90; 90 | 151.3 | Christensen, A. N.; Alamo, A.; Landesman, J. P. Structure of vacancy-ordered titanium heminitride δ'-Ti~2~N by powder neutron diffraction Acta Crystallographica, Section C: Crystal Structure Communications, 1985, 41, 1009-1011 |
| 1100031 | CIF | N Ti2 | P 42/m n m | 4.9452; 4.9452; 3.0342 90; 90; 90 | 74.2 | Holmberg, B Structural Studies on the Titanium-Nitrogen System Acta Chemica Scandinavica (1-27,1973-42,1988), 1962, 16, 1255-1261 |
| 1100032 | CIF | N1.29 Ti3 | R -3 m :H | 2.9809; 2.9809; 21.6642 90; 90; 120 | 170.5 | Lengauer, W. The crystal structure of η-Ti~3~N~2-x~: An additonal new phase in the Ti-N system Journal of the Less-Common Metals, 1986, 125, 127-134 |
| 1100033 | CIF | N Ti | F m -3 m | 4.242; 4.242; 4.242 90; 90; 90 | 76.3 | Ehrlich, P; Juza, R Fiat Review of German Science, 1948, 2, 64-64 |
| 1100034 | CIF | N Ti | F m -3 m | 4.244; 4.244; 4.244 90; 90; 90 | 76.4 | Bannister, F A Osbornite, meteoric titanium nitride. Mineralogical Magazine (1969-), 1941, 26, 36-44 |
| 1100036 | CIF | N Ti | F m -3 m | 4.238; 4.238; 4.238 90; 90; 90 | 76.1 | Schoenberg, N Acta Chemica Scandinavica (1-27,1973-42,1988), 1954, 8, 213-220 |
| 1100037 | CIF | N0.9 Ti | F m -3 m | 4.239; 4.239; 4.239 90; 90; 90 | 76.2 | Christensen, A N The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction Acta Chemica Scandinavica, Series A: (28,1974-), 1978, 32, 89-90 |
| 1100039 | CIF | N Ti0.76 | F m -3 m | 4.235; 4.235; 4.235 90; 90; 90 | 76 | Christensen, A. N. A Neutron Diffraction Investigation on Single Crystals of Titanium Carbide, Titanium Nitride, and Zirconium Nitride Acta Chemica Scandinavica, 1975, 29, 563-564 |
| 1100041 | CIF | N0.61 Ti | I 41/a m d :1 | 4.198; 4.198; 8.591 90; 90; 90 | 151.4 | Nagakura, S; Kusunoki, T Structure of Ti Nx studied by electron diffraction and microscopy Journal of Applied Crystallography, 1977, 10, 52-56 |
| 1100042 | CIF | O Ti | A 1 1 2/m | 5.855; 9.34; 4.142 90; 90; 107.53 | 216 | Watanabe, D; Castles, J R; Jostsons, A; Malin, A S The ordered structure of Ti O Acta Crystallographica (1,1948-23,1967), 1967, 23, 307-313 |
| 1100043 | CIF | S Zn | F -4 3 m | 5.4145; 5.4145; 5.4145 90; 90; 90 | 158.7 | Jumpertz, E. A. Electron-density distribution in zinc blende Zeitschrift für Elektrochemie und angewandte physikalische Chemie, 1955, 59, 419-425 |
| 1100044 | CIF | S Zn | P 63 m c | 3.8227; 3.8227; 6.2607 90; 90; 120 | 79.2 | Kisi, E. H.; Elcombe, M. M. u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction Acta Crystallographica Section C, 1989, 45, 1867-1870 |
| 1100045 | CIF | Al B2 Li O5 | C 1 2/c 1 | 9.9096; 10.0634; 9.3552 90; 120.068; 90 | 807.39 | He, M; Chen, X; Lan, Y; Li, H; Xu, Y Ab initio structure determination of new compound LiAlB~2~O~5~ Journal of Solid State Chemistry, 2001, 156, 181-184 |
| 1100046 | CIF | B Ca Ga O4 | C c c 2 | 15.473; 8.294; 5.8392 90; 90; 90 | 749.3 | Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P. Synthesis and crystal structure of a new compound CaGaBO~4~ Journal of Alloys and Compounds, 2001, 327, 215-219 |
| 1100047 | CIF | Al2 B2 Na2 O7 | P -3 1 c | 4.8113; 4.8113; 15.2781 90; 90; 120 | 306.29 | He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~ Journal of Alloys and Compounds, 2001, 327, 210-214 |
| 1100048 | CIF | Al2 Cr | I -4 3 m | 9.09; 9.09; 9.09 90; 90; 90 | 751.09 | Braun, J.; Ellner, M.; Predel, B. Zur struktur der hochtemperaturphase Cr~5~Al~8~(h) Journal of Alloys and Compounds, 1992, 183, 444-448 |
| 1100049 | CIF | Al8 Cr5 | R 3 m :R | 7.805; 7.805; 7.805 109.127; 109.127; 109.127 | 370.6 | A. J. Bradley; S. S. Lu The Crystal Structures of Cr~2~Al and Cr~2~Al~8~ Z. Kristallogr. A, 1937, 96, 20-37 |
| 1100050 | CIF | Al16 Cr9.5 | R 3 m :R | 7.811; 7.811; 7.811 109.13; 109.13; 109.13 | 371.42 | Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B, 1977, 33, 1088-1095 |
| 1100051 | CIF | Al65 Cr27 Fe8 | R 3 m :H | 12.6963024; 12.6963024; 7.9210911 90; 90; 120 | 1105.78 | Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B, 1977, 33, 1088-1095 |
| 1100052 | CIF | B Ga O4 Sr | P 21 21 2 | 15.3706; 8.9921; 5.9191 90; 90; 90 | 818.11 | Yang, Z; Liang, J; Chen, X; Chen, J Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data Journal of Solid State Chemistry, 2002, 165, 119-124 |
| 1100053 | CIF | Ba5 Cl2.5 Mo N4 O0.75 | C 1 2/m 1 | 10.8277; 11.8401; 10.3631 90; 111.96; 90 | 1232.2 | Francesconi, M. Grazia; Barker, Marten G.; Wilson, Claire Novel ternary N-containing mixed-anion compounds with ionic and covalent features Chemical Communications (Cambridge, United Kingdom), 2002, 1358-1359 |
| 1100054 | CIF | B2 Ba O6 Ti | R -3 :H | 5.0205; 5.0205; 16.3844 90; 90; 120 | 357.641 | Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D A structural study of BaTi(BO~3~)~2~ Materials Research Bulletin, 2003, 38, 783-788 |
| 1100055 | CIF | B5 Ca3 La3 O15 | P 63 m c | 10.5319; 10.5319; 6.4077 90; 90; 120 | 615.53 | Zhang, Y; Liang, J; Chen, X; He, M; Xu, T A structural study of Ca~3~La~3~(BO~3~)~5~ Journal of Alloys and Compounds, 2001, 327, 96-99 |
| 1100057 | CIF | Cu5 Zn8 | I -4 3 m | 8.878; 8.878; 8.878 90; 90; 90 | 699.75 | Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B. New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~ Acta Crystallographica Section B, 1974, 30, 1412-1417 |
| 1100058 | CIF | Cu5 Zn8 | I -4 3 m | 8.85; 8.85; 8.85 90; 90; 90 | 693.15 | Bradley, A. J.; Gregory, C. H. A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~ The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7, 1931, 12, 143-162 |
| 1100060 | CIF | Al B2 Li3 O6 | P -1 | 4.876; 6.191; 7.91 74.46; 89.44; 89.52 | 230 | He, M; Chen, X; Gramlich, V; Baerlocher, Ch; Zhou, T; Hu, B Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~ Journal of Solid State Chemistry, 2002, 163, 369-376 |
| 1100062 | CIF | Fe0.333 I2 Li O6 | P 63 | 5.4632; 5.4632; 5.0859 90; 90; 120 | 131.5 | Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~ Power Diffraction, 2002, 17, 132-134 |
| 1100063 | CIF | C Mg Ni3 | P m -3 m | 3.8089; 3.8089; 3.8089 90; 90; 90 | 55.2584 | Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M Debye temperature of the MgCNi~3~ superconductor Chin. Phys. Lett, 2002, 19, 249-251 |
| 1100065 | CIF | B2 Na3 O6 Y | P 1 21/c 1 | 6.505; 8.5172; 12.0213 90; 118.72; 90 | 584.1 | Zhang, Y; Chen, X; Liang, J; Xu, T Synthesis and structural study of new rarte earth sodium borates of Na~3~Ln(BO~2~)~3~(Ln=Y,Gd) Journal of Alloys and Compounds, 2002, 333, 72-75 |
| 1100066 | CIF | ? | P63/m | 9.048; 9.047673; 6.704 90; 90; 120 | 475.29 | Al2O3 - ZrO2 standard |
| 1100067 | CIF | B2 O6 Sr3 | R -3 c :H | 9.0429; 9.0429; 12.5664 90; 90; 120 | 889.834 | Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y. Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~ Journal of Alloys and Compounds, 2001, 327, 10-13 |
| 1100069 | CIF | H12 Mg O12 S2 | P -1 | 6.819; 6.747; 6.506 94.23; 96.76; 101.72 | 289.6 | Black, W H; Griffith, E A H; Robertson, B E M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 615-617 |
| 1100070 | CIF | H12 Mg O9 S2 | P n m a | 9.397; 14.555; 6.864 90; 90; 90 | 938.8 | Baggio, S; Amzel, L; Becka, L N Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1650-2653 |
| 1100072 | CIF | H12 Mg O9 S2 | P n m a | 9.32; 14.36; 6.87 90; 90; 90 | 919.4 | Nardelli, M; Fava, G; Giraldi, G The Crystal Structure of Magnesium Thiosulphate Hexahydrate Acta Crystallographica (1,1948-23,1967), 1962, 15, 227-231 |
| 1100073 | CIF | H12 Mg O9 S2 | P n m a | 9.405; 14.449; 6.866 90; 90; 90 | 933 | Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1799-1801 |
| 1100074 | CIF | H12 Mg O9 S2 | P n m a | 9.304; 14.447; 6.847 90; 90; 90 | 920.3 | Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1799-1801 |
| 1100075 | CIF | H1.3332 Mg1.3333 O4.9999 S | I 41/a m d :2 | 5.242; 5.242; 12.995 90; 90; 90 | 357.1 | Keefer, K D; Hochella, M F jr.; de Jong, B H W S The Structure of the Magnesium Hydroxide Sulfate Hydrate Mg S O~4~ (Mg (O H)~2~)~.3333~ (H~2~ O)~.3333~ Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1003-1006 |
| 1100076 | CIF | Mg O4 S | P b n m | 4.742; 8.575; 6.699 90; 90; 90 | 272.4 | Coing-Boyat, J. Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1962, 255, 1962-1964 |
| 1100077 | CIF | H12 Mg O9 S2 | P n m a | 9.397; 14.455; 6.864 90; 90; 90 | 932.4 | Baggio, S; Amzel, L M; Becka, L N Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2650-2653 |
| 1100078 | CIF | H12 Mg O9 S2 | P n m a | 9.324; 14.461; 6.862 90; 90; 90 | 925.2 | Elerman, Y; Bats, J W; Fuess, H Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O Acta Crystallographica C (39,1983-), 1983, 39, 515-518 |
| 1100079 | CIF | H12 Mg O9 S2 | P n m a | 9.324; 14.461; 6.862 90; 90; 90 | 925.2 | Elerman, Y; Bats, J W; Fuess, H Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O Acta Crystallographica C (39,1983-), 1983, 39, 515-518 |
| 1100080 | CIF | H12 Mg O9 S | R 3 :R | 5.933; 5.933; 5.933 96.28; 96.28; 96.28 | 204.8 | Anderson, L.; Lindquist, O. Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~ Acta Crystallographica, Section C: Crystal Structure Communications, 1984, 40, 584-586 |
| 1100081 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J W; Fuess, H; Elerman, Y Deformation density in magnesium sulfite hexahydrate. Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
| 1100082 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
| 1100083 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
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