Crystallography Open Database

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Searching space group like 'P 63 2 2'

COD ID: 1008015
CIF file Formula: - Mn2 N0.86 -
Comments: Eddine, M N; Bertaut, E F; Maunaye, M Structure cristallographique de Mn~2~ N~0.86~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2696-2698
Space group: P 63 2 2
Cell volume: 92.5
Cell parameters: 4.8551; 4.8551; 4.5326; 90; 90; 120;  

COD ID: 1008089
CIF file Formula: - Al2 Ba O4 -
Comments: Do Dinh, C; Bertaut, C Parametres atomiques de Ba Al~2~ O~4~ et etudes des solutions solides Ba Fe~x~ Al~2-x~ O~4~ et Ba Ga~x~ Al~2-x~ O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 413-416
Space group: P 63 2 2
Cell volume: 208.3
Cell parameters: 5.227; 5.227; 8.802; 90; 90; 120;  

COD ID: 1008833
CIF file Formula: - H9 Na3 O14 P2 Te -
Comments: Averbuch-Pouchot, M T Structure d'un phosphate tellurate de sodium: Te (O H)6 Na2 H P O4 Na H2 P O4 Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2405-2406
Space group: P 63 2 2
Cell volume: 584.6
Cell parameters: 7.883; 7.883; 10.863; 90; 90; 120;  

COD ID: 1010039
CIF file Formula: - Al2 Ba O4 -
Comments: Wallmark, S; Westgren, A X-Ray Analysis of Barium Aluminates Arkiv foer Kemi, Mineralogi och Geologi, B 12(35) (1937) 1-4
Space group: P 63 2 2
Cell volume: 205.9
Cell parameters: 5.209; 5.209; 8.761; 90; 90; 120;  

COD ID: 1010976
CIF file Formula: - Ce F3 -
Comments: Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
Space group: P 63 2 2
Cell volume: 321.8
Cell parameters: 7.137; 7.137; 7.295; 90; 90; 120;  

COD ID: 1010983
CIF file Formula: - F3 La -
Comments: Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
Space group: P 63 2 2
Cell volume: 327.5
Cell parameters: 7.176; 7.176; 7.344; 90; 90; 120;  

COD ID: 1010984
CIF file Formula: - F3 Pr -
Comments: Oftedal, P Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
Space group: P 63 2 2
Cell volume: 313.6
Cell parameters: 7.076; 7.076; 7.233; 90; 90; 120;  

COD ID: 1010985
CIF file Formula: - F3 Nd -
Comments: Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
Space group: P 63 2 2
Cell volume: 309
Cell parameters: 7.034; 7.034; 7.211; 90; 90; 120;  

COD ID: 1010986
CIF file Formula: - F3 Sm -
Comments: Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
Space group: P 63 2 2
Cell volume: 303
Cell parameters: 6.99; 6.99; 7.16; 90; 90; 120;  

COD ID: 1011350
CIF file Formula: - Ce F3 -
Comments: Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272-292
Space group: P 63 2 2
Cell volume: 320.7
Cell parameters: 7.128; 7.128; 7.288; 90; 90; 120;  

COD ID: 1509696
CIF file Formula: - Ag2 O3 Sn -
Comments: Linke, C.; Jansen, M. Ueber Ag2 Sn O3, das erste Silberstannat Zeitschrift fuer Anorganische und Allgemeine Chemie 623 (1997) 1441-1446
Space group: P 63 2 2
Cell volume: 346.915
Cell parameters: 5.623; 5.623; 12.6694; 90; 90; 120;  

COD ID: 1521833
CIF file Formula: - O Zr3 -
Comments: Riabov, A.B.; Yartys', V.A.; Wiesinger, G.; Hauback, B.C.; Guegan, P.W.; Harris, I.R. Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys Journal of Alloys Compd. 293 (1999) 93-100
Space group: P 63 2 2
Cell volume: 141.683
Cell parameters: 5.6172; 5.6172; 5.185; 90; 90; 120;  

COD ID: 1523551
CIF file Formula: - Ni2 Si -
Comments: Ellner, M.; Bhargava, M.K.; Heinrich, S.; Schubert, K. Einige strukturelle Untersuchungen in der Mischung Ni Sin Journal of the Less-Common Metals 66 (1979) 163-173
Space group: P 63 2 2
Cell volume: 63.055
Cell parameters: 3.836; 3.836; 4.948; 90; 90; 120;  

COD ID: 1523919
CIF file Formula: - O3 Re1.13 -
Comments: Jeitschko, W.; Sleight, A.W. The rhenium-oxygen system at high pressure: Structure and characterization of a new rhenium oxide Journal of Solid State Chemistry 4 (1972) 324-330
Space group: P 63 2 2
Cell volume: 91.812
Cell parameters: 4.835; 4.835; 4.535; 90; 90; 120;  

COD ID: 1524096
CIF file Formula: - O3 Sb Tl -
Comments: Bouchama, M.; Tournoux, M. Polytypisme de Tl Sb O3 Revue de Chimie Minerale 12 (1975) 80-92
Space group: P 63 2 2
Cell volume: 347.964
Cell parameters: 5.31; 5.31; 14.25; 90; 90; 120;  

COD ID: 1525118
CIF file Formula: - K0.26 O3 W -
Comments: Pye, M.F.; Dickens, P.G. A structural study of the hexagonal potassium tungsten bronze, K0.26 W O3 Materials Research Bulletin 14 (1979) 1397-1402
Space group: P 63 2 2
Cell volume: 355.653
Cell parameters: 7.385; 7.385; 7.53; 90; 90; 120;  

COD ID: 1525718
CIF file Formula: - Fe3 N1.3 -
Comments: Leineweber, A.; Kockelmann, W.; Jacobs, H.; Lueken, H.; Huening, F. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 86.635
Cell parameters: 4.7615; 4.7615; 4.4124; 90; 90; 120;  

COD ID: 1525719
CIF file Formula: - Fe3 N1.33 -
Comments: Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 87.05
Cell parameters: 4.7715; 4.7715; 4.415; 90; 90; 120;  

COD ID: 1525721
CIF file Formula: - Fe3 N1.39 -
Comments: Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 87.604
Cell parameters: 4.7855; 4.7855; 4.4171; 90; 90; 120;  

COD ID: 1525724
CIF file Formula: - Fe3 N1.107 -
Comments: Leineweber, A.; Jacobs, H.; Lueken, H.; Huening, F.; Kockelmann, W. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 84.149
Cell parameters: 4.7126; 4.7126; 4.3752; 90; 90; 120;  

COD ID: 1525727
CIF file Formula: - Fe3 N1.1 -
Comments: Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 84.777
Cell parameters: 4.7197; 4.7197; 4.3946; 90; 90; 120;  

COD ID: 1525731
CIF file Formula: - Fe3 N1.235 -
Comments: Leineweber, A.; Kockelmann, W.; Huening, F.; Jacobs, H.; Lueken, H. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 85.587
Cell parameters: 4.7396; 4.7396; 4.3994; 90; 90; 120;  

COD ID: 1525733
CIF file Formula: - Fe3 N1.236 -
Comments: Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 85.88
Cell parameters: 4.7434; 4.7434; 4.4074; 90; 90; 120;  

COD ID: 1525735
CIF file Formula: - Fe3 N1.226 -
Comments: Leineweber, A.; Lueken, H.; Huening, F.; Jacobs, H.; Kockelmann, W. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 86.512
Cell parameters: 4.7542; 4.7542; 4.4197; 90; 90; 120;  

COD ID: 1525737
CIF file Formula: - Fe3 N1.231 -
Comments: Leineweber, A.; Huening, F.; Jacobs, H.; Lueken, H.; Kockelmann, W. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 86.719
Cell parameters: 4.7583; 4.7583; 4.4226; 90; 90; 120;  

COD ID: 1525739
CIF file Formula: - Fe3 N1.222 -
Comments: Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 86.923
Cell parameters: 4.7625; 4.7625; 4.4252; 90; 90; 120;  

COD ID: 1525741
CIF file Formula: - Fe3 N1.22 -
Comments: Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H. Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38) Journal of Alloys Compd. 316 (2001) 21-38
Space group: P 63 2 2
Cell volume: 87.368
Cell parameters: 4.7715; 4.7715; 4.4311; 90; 90; 120;  

COD ID: 1527925
CIF file Formula: - Al2 Ba O4 -
Comments: Perrotta, A.J.; Smith, J.V. The crystal structure of Ba Al2 O4 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 91 (1968) 85-87
Space group: P 63 2 2
Cell volume: 207.054
Cell parameters: 5.218; 5.218; 8.781; 90; 90; 120;  

COD ID: 1528504
CIF file Formula: - Al2 Ba0.6 O4 Sr0.4 -
Comments: Fukuda, K.; Orito, T.; Iwata, T. Structural disorder in Ba0.6 Sr0.4 Al2 O4 Journal of Solid State Chemistry 178 (2005) 3662-3666
Space group: P 63 2 2
Cell volume: 201.35
Cell parameters: 5.1879; 5.1879; 8.6385; 90; 90; 120;  

COD ID: 1528602
CIF file Formula: - Ca O11 Ta4 -
Comments: Jahnberg, L. Crystal structure of Na2 Nb4 O11 and Ca Ta4 O11 Journal of Solid State Chemistry 1 (1970) 454-462
Space group: P 63 2 2
Cell volume: 410.016
Cell parameters: 6.213; 6.213; 12.265; 90; 90; 120;  

COD ID: 1529711
CIF file Formula: - I Li O3 -
Comments: Butolin, S.A.; Belova, L.F.; Ivanova, N.M.; Samoylova, R.N.; Kotenko, O.M.; Dokuchaeva, I.M. Optical and physico-chemical properties of alpha Li I O3 monocrystal Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 11 (1975) 862-865
Space group: P 63 2 2
Cell volume: 134.835
Cell parameters: 5.484; 5.484; 5.177; 90; 90; 120;  

COD ID: 1529828
CIF file Formula: - O3 Re -
Comments: Dyuzheva, T.I.; Bendeliani, N.A.; Kabalkina, S.S. New high-pressure phases of Re O3 Journal of the Less-Common Metals 133 (1987) 313-317
Space group: P 63 2 2
Cell volume: 91.187
Cell parameters: 4.848; 4.848; 4.48; 90; 90; 120;  

COD ID: 1530001
CIF file Formula: - Fe0.4 Se2 Zr -
Comments: Gleizes, A.; Revelli, J.; Ibers, J.A. Structures of a semiconducting and a metallic phase in the Fe Y Zr Se2 system Journal of Solid State Chemistry 17 (1976) 363-372
Space group: P 63 2 2
Cell volume: 400.122
Cell parameters: 6.011; 6.011; 12.787; 90; 90; 120;  

COD ID: 1531321
CIF file Formula: - Fe0.47 Nb S2 -
Comments: Ehm, L.; Knorr, K.; Vogel, S.; Schmid-Beurmann, P.; Depmeier, W. X-ray powder diffraction and (57)Fe Mossbauer spectroscopy study on Fe0.47 Nb S2 Journal of Alloys Compd. 339 (2002) 30-34
Space group: P 63 2 2
Cell volume: 359.751
Cell parameters: 5.7905; 5.7905; 12.3891; 90; 90; 120;  

COD ID: 1531562
CIF file Formula: - Ba Ga2 O4 -
Comments: Kahlenberg, V.; Weidenthaler, C. High-temperature single crystal diffraction study on monobarium gallate - the crystal structure of beta-(Ba Ga2 O4) Solid State Sciences 4 (2002) 963-968
Space group: P 63 2 2
Cell volume: 225.992
Cell parameters: 5.3925; 5.3925; 8.9739; 90; 90; 120;  

COD ID: 1532059
CIF file Formula: - Al3 D2.68 Zr4 -
Comments: Riabov, A.B.; Hauback, B.C.; Denys, R.V.; Yartys', V.A. Zr4 Al3 D2.68 and Zr3 Al2 D2.26: new Zr-containing intermetallic hydrides with ordered hydrogen sublattice Journal of Alloys Compd. 356 (2003) 91-95
Space group: P 63 2 2
Cell volume: 1170.79
Cell parameters: 11.0017; 11.0017; 11.1694; 90; 90; 120;  

COD ID: 1532724
CIF file Formula: - Mn N0.421 -
Comments: Leineweber, A.; Jacobs, H.; Kockelmann, W. Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction Journal of Alloys Compd. 368 (2004) 229-247
Space group: P 63 2 2
Cell volume: 93.851
Cell parameters: 4.8859; 4.8859; 4.5396; 90; 90; 120;  

COD ID: 1533234
CIF file Formula: - Al2 Eu0.12 O4 Sr0.88 -
Comments: Yamada, H.; Shi, W.S.; Nishikubo, K.; Xu, C.N. Determination of the crystal structure of spherical particles of Sr Al2 O4:Eu prepared by the spray method Journal of the Electrochemical Society 150 (2003) E251-E254
Space group: P 63 2 2
Cell volume: 189.813
Cell parameters: 5.1164; 5.1164; 8.3727; 90; 90; 120;  

COD ID: 1535744
CIF file Formula: - Ba Ge O4 Zn -
Comments: Iijima, K.; Marumo, F.; Takei, H. Structural Changes of a Piezoelectric Crystal BaZnGeO~4~ on Thermal Phase Transition Journal of the Ceramic Association, Japan 91(1050) (1983) 67-72
Space group: P 63 2 2
Cell volume: 227.236
Cell parameters: 5.407; 5.407; 8.975; 90; 90; 120;  

COD ID: 1536813
CIF file Formula: - Al F6 Li Sm -
Comments: Koehler, J.; Mueller, B.G. Li Sm Al F6 - das erste Fluoroaluminat mit zweiwertigem Samarium Zeitschrift fuer Anorganische und Allgemeine Chemie 606 (1991) 169-176
Space group: P 63 2 2
Cell volume: 232.45
Cell parameters: 5.079; 5.079; 10.405; 90; 90; 120;  

COD ID: 1541967
CIF file Formula: - Ba3 Fe2 O9 W -
Comments: Gagulin, V.V.; Fadeeva, N.V.; Mitrofanov, K.P.; Belous, A.G.; Venevtsev, Yu.N.; Titov, A.V.; Solov'ev, S.P.; Plotnikova, M.V. New seignette-magnets with hexagonal barium titanate structure Physica Status Solidi, Sectio A: Applied Research 48 (1978) 183-189
Space group: P 63 2 2
Cell volume: 401.751
Cell parameters: 5.74; 5.74; 14.08; 90; 90; 120;  

COD ID: 1545124
CIF file Formula: - Al2 Ba O4 -
Comments: Uchikawa, H.; Tsukiyama, K. Precise determination of BaAl2O4 cell and certification of the formation of iron bearing solid solution Journal of Ceramic Association of Japan 74 (1966) 15-22
Space group: P 63 2 2
Cell volume: 207.435
Cell parameters: 5.224; 5.224; 8.777; 90; 90; 120;  

COD ID: 1545252
CIF file Formula: - C Fe2.4 -
Comments: Nagakura, Sigemaro Study of Metallic Carbides by Electron Diffraction Part III. Iron Carbides Journal of the Physical Society of Japan 14(2) (1959) 186-195
Space group: P 63 2 2
Cell volume: 85.686
Cell parameters: 4.767; 4.767; 4.354; 90; 90; 120;  

COD ID: 1546505
CIF file Formula: - C62 H68 B F24 P2 Rh -
Comments: Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. Chem. Sci. (2017)
Space group: P 63 2 2
Cell volume: 11759.4
Cell parameters: 25.8617; 25.8617; 20.302; 90; 90; 120;  

COD ID: 1560656
CIF file Formula: - C9.52 H19.2 Cr0.46 N1.54 Ni1.54 O12 -
Comments: Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations Journal of Solid State Chemistry 245 (2017) 23-29
Space group: P 63 2 2
Cell volume: 395.99
Cell parameters: 8.1266; 8.1266; 6.9236; 90; 90; 120;  

COD ID: 1560657
CIF file Formula: - C9.76 H19.52 Fe0.5 N1.5 Ni1.5 O12 -
Comments: Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations Journal of Solid State Chemistry 245 (2017) 23-29
Space group: P 63 2 2
Cell volume: 400.22
Cell parameters: 8.1246; 8.1246; 7.0011; 90; 90; 120;  

COD ID: 1561588
CIF file Formula: - C3 Cs2 K0.5 O68 P2 W18 -
Comments: Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives. Nanoscale 13(17) (2021) 8049-8057
Space group: P 63 2 2
Cell volume: 7324.1
Cell parameters: 17.209; 17.209; 28.557; 90; 90; 120;  

COD ID: 1564595
CIF file Formula: - C252 H294 Cu20 O37 -
Comments: Cao, Yun-Dong; Hao, Hui-Ping; Liu, Huashi; Yin, Di; Wang, Mingliang; Gao, Guanggang; Fan, Lin-Lin; Liu, Hong A 20-core copper(I) nanocluster as electron-hole recombination inhabitor on TiO2 nanosheet for enhancing photocatalytic H2 evolution Nanoscale (2021)
Space group: P 63 2 2
Cell volume: 13493.9
Cell parameters: 20.0197; 20.0197; 38.877; 90; 90; 120;  

COD ID: 1571347
CIF file Formula: - C98.8 H149.6 K O18.2 Si4 Tb -
Comments: Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state. Chemical science 15(18) (2024) 6874-6883
Space group: P 63 2 2
Cell volume: 10552
Cell parameters: 14.7864; 14.7864; 55.7285; 90; 90; 120;  

COD ID: 1571349
CIF file Formula: - C88 H128 Ce K O15.5 Si4 -
Comments: Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state. Chemical science 15(18) (2024) 6874-6883
Space group: P 63 2 2
Cell volume: 10619.3
Cell parameters: 14.87393; 14.87393; 55.4259; 90; 90; 120;  

COD ID: 2001621
CIF file

Original IUCr paper

 Formula: - C12 H30 Cl Co N8 O7 S2 -
Comments: Bacchi, A.; Ferranti, F.; Pelizzi, G. Structures of two cobalt(III) sepulchrate complexes Acta Crystallographica Section C 49(6) (1993) 1163-1169
Space group: P 63 2 2
Cell volume: 1080.8
Cell parameters: 8.552; 8.552; 17.064; 90; 90; 120;  

COD ID: 2002155
CIF file Formula: - Ni4.5 O15 Pb3 Te2.5 -
Comments: Wedel, B; Sugiyama, K; Mueller-Buschbaum, Hk Verknuepfung von (Te O6)6 und (Te O6)3 (Ni O6)3sechringen durch Te Ni O9-Oktaederdoppel in Pb3 Ni4.5 Te2.5 O15 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 53 (1998) 527-531
Space group: P 63 2 2
Cell volume: 1235.1
Cell parameters: 10.2579; 10.2579; 13.554; 90; 90; 120;  

COD ID: 2002491
CIF file Formula: - Ba Hg O2 -
Comments: Soll, M; Mueller-Buschbaum, Hk Das erste Bariumoxomercurat: Ba Hg O2. Synthese und Kristallstruktur Journal of the Less-Common Metals 162 (1990) 169-174
Space group: P 63 2 2
Cell volume: 494.1
Cell parameters: 6.9038; 6.9038; 11.97; 90; 90; 120;  

COD ID: 2002865
CIF file Formula: - Ba5 Cl2 O9 Ru Ta -
Comments: Wilkens, J; Mueller-Buschbaum, Hk Ueber Halogenooxo-Ruthenate: Zur Kenntnis von Ba5 Ru Ta O9 Cl2 Journal of the Less-Common Metals 171 (1991) 255-262
Space group: P 63 2 2
Cell volume: 745.4
Cell parameters: 5.8985; 5.8985; 24.739; 90; 90; 120;  

COD ID: 2003880
CIF file

Original IUCr paper

 Formula: - O11 Sr Ta4 -
Comments: Heunen, G. W. J. C.; IJdo, D. J. W.; Helmholdt, R. B. SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction Data Acta Crystallographica Section C 51(9) (1995) 1723-1725
Space group: P 63 2 2
Cell volume: 417.755
Cell parameters: 6.2543; 6.2543; 12.332; 90; 90; 120;  

COD ID: 2006258
CIF file

Original IUCr paper

 Formula: - C6 H24 N8 O6 Zn -
Comments: Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L. Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate Acta Crystallographica Section C 53(6) (1997) 701-703
Space group: P 63 2 2
Cell volume: 782.46
Cell parameters: 8.9289; 8.9289; 11.3327; 90; 90; 120;  

COD ID: 2008721
CIF file

Original IUCr paper

 Formula: - Fe0.97 K0.97 O4 Si1.03 -
Comments: Robert Hammond; Jacques Barbier Hexagonal β-KFeSiO~4~ Acta Crystallographica Section C 55(7) (1999) IUC9900075
Space group: P 63 2 2
Cell volume: 210.88
Cell parameters: 5.26; 5.26; 8.801; 90; 90; 120;  

COD ID: 2009380
CIF file

Original IUCr paper

 Formula: - C30 H61 N9 O26 Pt3 -
Comments: Khodadad, P.; Rodier, N. [Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8), 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O Acta Crystallographica Section C 50(1) (1994) 46-48
Space group: P 63 2 2
Cell volume: 5581.9
Cell parameters: 21.226; 21.226; 14.306; 90; 90; 120;  

COD ID: 2017638
CIF file

HKL data

Original IUCr paper

 Formula: - C12 H30 Co N11 O9 -
Comments: Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate Acta Crystallographica Section C 66(4) (2010) m107-m109
Space group: P 63 2 2
Cell volume: 994.8
Cell parameters: 8.4945; 8.4945; 15.9195; 90; 90; 120;  

COD ID: 2106525
CIF file Formula: - Ca O11 Ta4 -
Comments: Isobe, M.; Marumo, F.; Iwai, S.I.; Kimura, M. Calcium tetratantalate Acta Crystallographica B (24,1968-38,1982) 31 (1975) 908-910
Space group: P 63 2 2
Cell volume: 410.785
Cell parameters: 6.2173; 6.2173; 12.271; 90; 90; 120;  

COD ID: 2204951
CIF file

HKL data

Original IUCr paper

 Formula: - C6 H26 Cl Co I2 N6 O -
Comments: Zhang, Zhang-Jing; Zheng, Fa-Kun; Fu, Ming-Lai; Guo, Guo-Cong; Huang, Jin-Shun A new cobalt(III) ethylenediamine complex with mixed halide counter-anions, [Co(en)~3~](Cl)(I)~2~·H~2~O Acta Crystallographica Section E 61(1) (2005) m89-m91
Space group: P 63 2 2
Cell volume: 2695.5
Cell parameters: 11.2374; 11.2374; 24.648; 90; 90; 120;  

COD ID: 2224132
CIF file

HKL data

Original IUCr paper

 Formula: - C6 H24 F6 N6 Si Zn -
Comments: Li, Yang; Shi, Qi; Slawin, Alexandra M. Z.; Woollins, J. Derek; Dong, Jinxiang Tris(ethylenediamine)zinc(II) hexafluoridosilicate Acta Crystallographica Section E 65(12) (2009) m1522
Space group: P 63 2 2
Cell volume: 713.8
Cell parameters: 9.192; 9.192; 9.755; 90; 90; 120;  

COD ID: 2228017
CIF file

HKL data

Original IUCr paper

 Formula: - C6 H24 F6 N6 Ni Si -
Comments: Haníková, Jaroslava; Kuchár, Juraj; Černák, Juraj; Pelosi, Giorgio Tris(1,2-diaminoethane)nickel(II) hexafluoridosilicate Acta Crystallographica Section E 66(11) (2010) m1451-m1452
Space group: P 63 2 2
Cell volume: 710.51
Cell parameters: 9.167; 9.167; 9.763; 90; 90; 120;  

COD ID: 2236087
CIF file

HKL data

Original IUCr paper

 Formula: - Co9 O30 Pb6 Te5 -
Comments: Artner, Christine; Weil, Matthias Pb~6~Co~9~(TeO~6~)~5~ Acta Crystallographica Section E 68(9) (2012) i71
Space group: P 63 2 2
Cell volume: 1274.37
Cell parameters: 10.3915; 10.3915; 13.6273; 90; 90; 120;  

COD ID: 2300101
CIF file Formula: - Al2 Eu0.136 O4 Sr0.864 -
Comments: Chao-Nan, Xu; Wen-Sheng Shi Observation of orientational disorder in the hexagonal stuffed tridymite Sr~0.864~Eu~0.136~Al~2~O~4~ by the maximum-entropy method Journal of Applied Crystallography 37(5) (2004) 698-702
Space group: P 63 2 2
Cell volume: 189.687
Cell parameters: 5.11635; 5.11635; 8.3673; 90; 90; 120;  

COD ID: 2300357
CIF file

Original IUCr paper

 Formula: - C6 H24 N8 Ni O6 -
Comments: Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography 44(4) (2011) 763-771
Space group: P 63 2 2
Cell volume: 773.07
Cell parameters: 8.8647; 8.8647; 11.3595; 90; 90; 120;  

COD ID: 2300358
CIF file

Original IUCr paper

 Formula: - C6 H24 N8 Ni O6 -
Comments: Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography 44(4) (2011) 763-771
Space group: P 63 2 2
Cell volume: 773.07
Cell parameters: 8.8647; 8.8647; 11.3595; 90; 90; 120;  

COD ID: 2300361
CIF file

Original IUCr paper

 Formula: - C6 H24 N8 Ni O6 -
Comments: Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography 44(4) (2011) 763-771
Space group: P 63 2 2
Cell volume: 773.07
Cell parameters: 8.8647; 8.8647; 11.3595; 90; 90; 120;  

COD ID: 4000974
CIF file Formula: - Fe3 N1.2 -
Comments: Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x Chemistry of Materials 21(2) (2009) 392
Space group: P 63 2 2
Cell volume: 84.773
Cell parameters: 4.7241; 4.7241; 4.3862; 90; 90; 120;  

COD ID: 4001448
CIF file Formula: - C221 H192 Ag5 Cl0 F15 N24 O15 S5 -
Comments: Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal Chemistry of Materials 19(19) (2007) 4630
Space group: P 63 2 2
Cell volume: 10714.4
Cell parameters: 17.9391; 17.9391; 38.4446; 90; 90; 120;  

COD ID: 4001449
CIF file Formula: - C221 H192 Ag5 Cl0 F15 N24 O15 S5 -
Comments: Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal Chemistry of Materials 19(19) (2007) 4630
Space group: P 63 2 2
Cell volume: 10703.1
Cell parameters: 17.9074; 17.9074; 38.5402; 90; 90; 120;  

COD ID: 4003877
CIF file Formula: - B12 Se12 Sn3.88 Te3.53 -
Comments: Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G. Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains Chemistry of Materials (2021)
Space group: P 63 2 2
Cell volume: 1577.74
Cell parameters: 13.6603; 13.6603; 9.763; 90; 90; 120;  

COD ID: 4003878
CIF file Formula: - B12 Se15.8 Sn4 -
Comments: Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G. Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains Chemistry of Materials (2021)
Space group: P 63 2 2
Cell volume: 1570.75
Cell parameters: 13.5927; 13.5927; 9.8167; 90; 90; 120;  

COD ID: 4027830
CIF file Formula: - B12 Cr Se15.98 Si3 -
Comments: Fukuoka, H.; Saito, T.; Sugimori, M.; Imoto, H. Preparation and crystal structure of chromium silicon selenide containing a B12 icosahedron with a tunnel structure Journal of Organometallic Chemistry 611 (2000) 547-550
Space group: P 63 2 2
Cell volume: 1390.23
Cell parameters: 12.9772; 12.9772; 9.5322; 90; 90; 120;  

COD ID: 4030197
CIF file Formula: - K0.23 Li0.09 O3 W -
Comments: Slade, Robert C. T.; West, Barbara, C.; Ramanan, A.; David, William I. F.; Harrison, William T. A. The structure of LixKyWO3. A powder neutron diffraction study European Journal of Solid State and Inorganic Chemistry 26 (1989) 15-22
Space group: P 63 2 2
Cell volume: 358.1
Cell parameters: 7.383; 7.383; 7.585; 90; 90; 120;  

COD ID: 4102682
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3] Journal of the American Chemical Society 132 (2010) 9588-9590
Space group: P 63 2 2
Cell volume: 377.94
Cell parameters: 7.3084; 7.3084; 8.1705; 90; 90; 120;  

COD ID: 4106843
CIF file Formula: - C3 H7 Mn N O6 -
Comments: Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3] Journal of the American Chemical Society 133 (2011) 14948-14951
Space group: P 63 2 2
Cell volume: 398.45
Cell parameters: 7.3622; 7.3622; 8.4885; 90; 90; 120;  

COD ID: 4106845
CIF file Formula: - C3 H7 Fe N O6 -
Comments: Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3] Journal of the American Chemical Society 133 (2011) 14948-14951
Space group: P 63 2 2
Cell volume: 386.37
Cell parameters: 7.3236; 7.3236; 8.318; 90; 90; 120;  

COD ID: 4106847
CIF file Formula: - C3 H7 Co N O6 -
Comments: Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3] Journal of the American Chemical Society 133 (2011) 14948-14951
Space group: P 63 2 2
Cell volume: 378.56
Cell parameters: 7.3058; 7.3058; 8.1897; 90; 90; 120;  

COD ID: 4106849
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3] Journal of the American Chemical Society 133 (2011) 14948-14951
Space group: P 63 2 2
Cell volume: 368.75
Cell parameters: 7.2861; 7.2861; 8.0207; 90; 90; 120;  

COD ID: 4106850
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3] Journal of the American Chemical Society 133 (2011) 14948-14951
Space group: P 63 2 2
Cell volume: 377.94
Cell parameters: 7.3084; 7.3084; 8.1705; 90; 90; 120;  

COD ID: 4107265
CIF file Formula: - C78 H120 Al2 Fe2 N10 P6 -
Comments: P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron Journal of the American Chemical Society 133 (2011) 20724-20727
Space group: P 63 2 2
Cell volume: 5305
Cell parameters: 15.5732; 15.5732; 25.258; 90; 90; 120;  

COD ID: 4109900
CIF file Formula: - C108.5 H131 F9 N9 O27.5 S3 Tb -
Comments: Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles Journal of the American Chemical Society 129 (2007) 10986-10987
Space group: P 63 2 2
Cell volume: 5924.1
Cell parameters: 22.9408; 22.9408; 12.998; 90; 90; 120;  

COD ID: 4109901
CIF file Formula: - C108.5 H131 Eu F9 N9 O27.5 S3 -
Comments: Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles Journal of the American Chemical Society 129 (2007) 10986-10987
Space group: P 63 2 2
Cell volume: 5927.6
Cell parameters: 22.944; 22.944; 13.002; 90; 90; 120;  

COD ID: 4109902
CIF file Formula: - C109.5 H135 F9 N9 O28.5 S3 Sm -
Comments: Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles Journal of the American Chemical Society 129 (2007) 10986-10987
Space group: P 63 2 2
Cell volume: 5826.9
Cell parameters: 22.8459; 22.8459; 12.8911; 90; 90; 120;  

COD ID: 4109903
CIF file Formula: - C96 H81 F9 N9 Nd O15 S3 -
Comments: Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles Journal of the American Chemical Society 129 (2007) 10986-10987
Space group: P 63 2 2
Cell volume: 6001.9
Cell parameters: 23.098; 23.098; 12.99; 90; 90; 120;  

COD ID: 4111680
CIF file Formula: - C74 H88 Co3 Fe2.33 N26 O20 -
Comments: Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster Journal of the American Chemical Society 127 (2005) 6766-6779
Space group: P 63 2 2
Cell volume: 9362
Cell parameters: 18.53; 18.53; 31.483; 90; 90; 120;  

COD ID: 4118371
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 377.2
Cell parameters: 7.3041; 7.3041; 8.164; 90; 90; 120;  

COD ID: 4118372
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 375.24
Cell parameters: 7.2829; 7.2829; 8.1691; 90; 90; 120;  

COD ID: 4118373
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 374.06
Cell parameters: 7.272; 7.272; 8.1678; 90; 90; 120;  

COD ID: 4118374
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 373.35
Cell parameters: 7.2649; 7.2649; 8.1683; 90; 90; 120;  

COD ID: 4118375
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 371.39
Cell parameters: 7.2411; 7.2411; 8.1789; 90; 90; 120;  

COD ID: 4118376
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 370.02
Cell parameters: 7.2282; 7.2282; 8.1778; 90; 90; 120;  

COD ID: 4118377
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 368.67
Cell parameters: 7.2138; 7.2138; 8.1805; 90; 90; 120;  

COD ID: 4118378
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham Negative Linear Compressibility of a Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 11940-11943
Space group: P 63 2 2
Cell volume: 366.54
Cell parameters: 7.1937; 7.1937; 8.1788; 90; 90; 120;  

COD ID: 4306875
CIF file Formula: - C3 H7 Mn N O6 -
Comments: Zheming Wang; Bin Zhang; Katsuya Inoue; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi; Mohamedally Kurmoo Occurrence of a Rare 49.66 Structural Topology, Chirality, and Weak Ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) Frameworks Inorganic Chemistry 46 (2007) 437-445
Space group: P 63 2 2
Cell volume: 397.25
Cell parameters: 7.3557; 7.3557; 8.4779; 90; 90; 120;  

COD ID: 4306876
CIF file Formula: - C3 H7 Co N O6 -
Comments: Zheming Wang; Bin Zhang; Katsuya Inoue; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi; Mohamedally Kurmoo Occurrence of a Rare 49.66 Structural Topology, Chirality, and Weak Ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) Frameworks Inorganic Chemistry 46 (2007) 437-445
Space group: P 63 2 2
Cell volume: 377.15
Cell parameters: 7.297; 7.297; 8.179; 90; 90; 120;  

COD ID: 4306877
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Zheming Wang; Bin Zhang; Katsuya Inoue; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi; Mohamedally Kurmoo Occurrence of a Rare 49.66 Structural Topology, Chirality, and Weak Ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) Frameworks Inorganic Chemistry 46 (2007) 437-445
Space group: P 63 2 2
Cell volume: 368.75
Cell parameters: 7.2861; 7.2861; 8.0207; 90; 90; 120;  

COD ID: 4315550
CIF file Formula: - C57 H42 O13 Zn4 -
Comments: Kristina Gedrich; Irena Senkovska; Igor A. Baburin; Uwe Mueller; Oliver Trapp; Stefan Kaskel New Chiral and Flexible Metal-Organic Framework with a Bifunctional Spiro Linker and Zn4O-Nodes Inorganic Chemistry 49 (2010) 4440-4446
Space group: P 63 2 2
Cell volume: 11106
Cell parameters: 22.249; 22.249; 25.906; 90; 90; 120;  

COD ID: 4320485
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 79.6768
Cell parameters: 4.622411; 4.622411; 4.305901; 90; 90; 120;  

COD ID: 4320488
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 79.8902
Cell parameters: 4.626407; 4.626407; 4.30998; 90; 90; 120;  

COD ID: 4320491
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.0288
Cell parameters: 4.628995; 4.628995; 4.31263; 90; 90; 120;  

COD ID: 4320494
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.1727
Cell parameters: 4.631653; 4.631652; 4.31543; 90; 90; 120;  

COD ID: 4320497
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.2492
Cell parameters: 4.632942; 4.632942; 4.31714; 90; 90; 120;  

COD ID: 4320500
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.3095
Cell parameters: 4.633861; 4.633861; 4.31867; 90; 90; 120;  

COD ID: 4320503
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.4522
Cell parameters: 4.636302; 4.636302; 4.32179; 90; 90; 120;  

COD ID: 4320506
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.3706
Cell parameters: 4.634816; 4.634816; 4.32018; 90; 90; 120;  

COD ID: 4320509
CIF file

HKL data

 Formula: - N Ni3 -
Comments: Andreas Leineweber; Herbert Jacobs; Steve Hull Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction Inorganic Chemistry 40 (2001) 5818-5822
Space group: P 63 2 2
Cell volume: 80.5393
Cell parameters: 4.63798; 4.63798; 4.32334; 90; 90; 120;  

COD ID: 4322502
CIF file Formula: - C84 H84 Fe Li3 O12 -
Comments: Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates Inorganic Chemistry 38 (1999) 5698-5702
Space group: P 63 2 2
Cell volume: 3706.4
Cell parameters: 14.8971; 14.8971; 19.2849; 90; 90; 120;  

COD ID: 4322503
CIF file Formula: - C76.8 H69.6 Cr Li3 O10.2 -
Comments: Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates Inorganic Chemistry 38 (1999) 5698-5702
Space group: P 63 2 2
Cell volume: 3638.5
Cell parameters: 14.85; 14.85; 19.052; 90; 90; 120;  

COD ID: 4335109
CIF file Formula: - C24 H51 Cr Ni3 O66 Sb12 -
Comments: Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson Antimony Tartrate Transition-Metal-Oxo Chiral Clusters Inorganic Chemistry 52 (2013) 6610-6616
Space group: P 63 2 2
Cell volume: 3682.01
Cell parameters: 13.3451; 13.3451; 23.8732; 90; 90; 120;  

COD ID: 4336944
CIF file Formula: - C42 H106 Fe7 N O68 S2 -
Comments: M. Menelaou; E. Vournari; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; Y. Sanakis; C. Mateescu; A. Salifoglou Heptanuclear Antiferromagnetic Fe(III)-d-(-)-Quinato Assemblies with an S= 3/2 Ground State-pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies Inorganic Chemistry 52 (2013) 13849-13860
Space group: P 63 2 2
Cell volume: 4297.76
Cell parameters: 16.2964; 16.2964; 18.6865; 90; 90; 120;  

COD ID: 4344304
CIF file Formula: - Cs I11 Nb6 -
Comments: Imoto, H.; Corbett, J.D. A More Reduced Nb6 I8 Cluster. Synthesis and Structure of Cs Nb6 I11 and Its Hydride Cs Nb6 I11 H Inorganic Chemistry 19 (1980) 1241-1245
Space group: P 63 2 2
Cell volume: 1247.95
Cell parameters: 11.007; 11.007; 11.894; 90; 90; 120;  

COD ID: 4501215
CIF file Formula: - C54 H101 Fe14 K3 N2 O116 Sb12 -
Comments: Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J. Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds Crystal Growth & Design 11(10) (2011) 4632
Space group: P 63 2 2
Cell volume: 7749.7
Cell parameters: 19.0892; 19.0892; 24.5573; 90; 90; 120;  

COD ID: 4518147
CIF file Formula: - C120 H96 Br9 Co4 Mn2 N24 -
Comments: Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight ACS Catalysis (2020) 12819-12827
Space group: P 63 2 2
Cell volume: 6259.4
Cell parameters: 13.2935; 13.2935; 40.9; 90; 90; 120;  

COD ID: 5910042
CIF file Formula: - F3 Sm -
Comments: Wyckoff, R. W. G. Pages 261 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/ The second edition of Structure of Crystals (1931) 261-261
Space group: P 63 2 2
Cell volume: 301.681
Cell parameters: 6.98; 6.98; 7.15; 90; 90; 120;  

COD ID: 7000894
CIF file Formula: - C42 H54 Co3 F6 K N12 O12 P -
Comments: Yang, Hong; Chen, Jia-Min; Sun, Jing-Jia; Yang, Shi-Ping; Yu, Jie; Tan, Hong; Li, Wei Syntheses, crystal structures and magnetic properties of three novel cobalt(ii) complexes containing imidazole derivative groups Dalton Transactions (issue 14) (2009) 2540-2551
Space group: P 63 2 2
Cell volume: 2555.2
Cell parameters: 14.575; 14.575; 13.889; 90; 90; 120;  

COD ID: 7015521
CIF file Formula: - C3 H3 Co K O6 -
Comments: Duan, Zhiming; Wang, Zheming; Gao, Song Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4465-4473
Space group: P 63 2 2
Cell volume: 359.15
Cell parameters: 6.9978; 6.9978; 8.4687; 90; 90; 120;  

COD ID: 7015522
CIF file Formula: - C3 H3 Co K O6 -
Comments: Duan, Zhiming; Wang, Zheming; Gao, Song Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4465-4473
Space group: P 63 2 2
Cell volume: 357.6
Cell parameters: 6.993; 6.993; 8.4439; 90; 90; 120;  

COD ID: 7015523
CIF file Formula: - C3 H3 Co K O6 -
Comments: Duan, Zhiming; Wang, Zheming; Gao, Song Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4465-4473
Space group: P 63 2 2
Cell volume: 358.87
Cell parameters: 7.0124; 7.0124; 8.427; 90; 90; 120;  

COD ID: 7016649
CIF file Formula: - C135 H111 Cd6 N24 Na2 O30 -
Comments: Li, Yun-Wu; Wang, Li-Fu; He, Kun-Huan; Chen, Qiang; Bu, Xian-He A sixfold interpenetrated microporous MOF constructed from heterometallic tetranuclear cluster exhibiting selective gas adsorption. Dalton transactions (Cambridge, England : 2003) 40(40) (2011) 10319-10321
Space group: P 63 2 2
Cell volume: 7508
Cell parameters: 18.643; 18.643; 24.945; 90; 90; 120;  

COD ID: 7039291
CIF file Formula: - B12 I In4 K3 Se12 -
Comments: Guo, Sheng-Ping; Chi, Yang; Liu, Bin-Wen; Guo, Guo-Cong Synthesis, crystal structure and second-order nonlinear optical property of a novel pentanary selenide (K3I)[InB12(InSe4)3]. Dalton transactions (Cambridge, England : 2003) 45(25) (2016) 10459-10465
Space group: P 63 2 2
Cell volume: 1619.9
Cell parameters: 13.896; 13.896; 9.687; 90; 90; 120;  

COD ID: 7042854
CIF file Formula: - C62.25 H45.25 Cu6 F36 N16.75 O4.75 -
Comments: Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations Dalton Trans. (2017)
Space group: P 63 2 2
Cell volume: 20015
Cell parameters: 23.63; 23.63; 41.39; 90; 90; 120;  

COD ID: 7049041
CIF file Formula: - C63 H45 Cu24 Na6 O118 P -
Comments: Meng, Wei; Ye, Hongfang; Liu, Shuai; Xu, Feng; Xu, Weijian Emergence of complex chiral coordination clusters {CuNa<sub>12</sub>} by using multiple ligands under oxidizing conditions. Dalton transactions (Cambridge, England : 2003) 48(10) (2019) 3204-3208
Space group: P 63 2 2
Cell volume: 22745.3
Cell parameters: 29.9131; 29.9131; 29.352; 90; 90; 120;  

COD ID: 7049042
CIF file Formula: - C63 H45 Cu24 Na6 O118 P -
Comments: Meng, Wei; Ye, Hongfang; Liu, Shuai; Xu, Feng; Xu, Weijian Emergence of complex chiral coordination clusters {CuNa<sub>12</sub>} by using multiple ligands under oxidizing conditions. Dalton transactions (Cambridge, England : 2003) 48(10) (2019) 3204-3208
Space group: P 63 2 2
Cell volume: 23025.4
Cell parameters: 30.1147; 30.1147; 29.317; 90; 90; 120;  

COD ID: 7102226
CIF file Formula: - C194 H160 Ag5 Cl6 F30 N36 O Sb5 -
Comments: Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Wang, Wei; Liu, Wei-Sheng; Kang, Bei-Sheng; Su, Cheng-Yong Formation of two (6,3) networks showing structural diversity, Borromean topology and conformational chirality in the same crystal Chemical Communications (Cambridge, United Kingdom) (issue 41) (2007) 4242-4244
Space group: P 63 2 2
Cell volume: 10206
Cell parameters: 17.791; 17.791; 37.231; 90; 90; 120;  

COD ID: 7102227
CIF file Formula: - C204 H171 Ag5 F30 N24 O1.5 Sb5 -
Comments: Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Wang, Wei; Liu, Wei-Sheng; Kang, Bei-Sheng; Su, Cheng-Yong Formation of two (6,3) networks showing structural diversity, Borromean topology and conformational chirality in the same crystal Chemical Communications (Cambridge, United Kingdom) (issue 41) (2007) 4242-4244
Space group: P 63 2 2
Cell volume: 10445.5
Cell parameters: 17.9271; 17.9271; 37.53; 90; 90; 120;  

COD ID: 7104623
CIF file Formula: - B12 Ga3 I K3 S12 Sm -
Comments: Guo, Sheng-Ping; Guo, Guo-Cong; Wang, Ming-Sheng; Zou, Jian-Ping; Zeng, Hui-Yi; Cai, Li-Zhen; Huang, Jin-Shun A facile approach to hexanary chalcogenoborate featuring a 3-D chiral honeycomb-like open-framework constructed from rare-earth consolidating thiogallate-closo-dodecaborate. Chemical communications (Cambridge, England) 34(29) (2009) 4366-4368
Space group: P 63 2 2
Cell volume: 1347.3
Cell parameters: 12.9213; 12.9213; 9.3181; 90; 90; 120;  

COD ID: 7105679
CIF file Formula: - C57 H48 Cu6 O36 -
Comments: Wenge Qiu; Jason Perman; Lukasz Wojtas; Mohamed Eddaoudi; Michael Zaworotko Structural Diversity through Ligand Flexibility: Two Novel Metal-Organic Nets via Ligand-to-Ligand Cross-Linking of "Paddlewheels" Chem.Commun. 46 (2010) 8734
Space group: P 63 2 2
Cell volume: 6782.6
Cell parameters: 18.5773; 18.5773; 22.6933; 90; 90; 120;  

COD ID: 7107527
CIF file Formula: - C63 H51 Ag2 Cl2 N13 O12 -
Comments: Andrew Stephenson; Michael D. Ward A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure Chem.Commun. 48 (2012) 3605
Space group: P 63 2 2
Cell volume: 10316.5
Cell parameters: 21.508; 21.508; 25.7514; 90; 90; 120;  

COD ID: 7110298
CIF file Formula: - C84 H63 Ag8 N21 O10 -
Comments: Yang, Guang; Raptis, Raphael G. A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 49.66 netElectronic supplementary information (ESI) available: experimental details, XPRD patterns, TGA curves and IR spectra. See http://www.rsc.org/suppdata/cc/b4/b404269g/ Chemical Communications (issue 18) (2004) 2058-2059
Space group: P 63 2 2
Cell volume: 4942.5
Cell parameters: 21.79; 21.79; 12.02; 90; 90; 120;  

COD ID: 7110299
CIF file Formula: - C84 H60 Ag8 B2 F8 N18 -
Comments: Yang, Guang; Raptis, Raphael G. A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 49.66 netElectronic supplementary information (ESI) available: experimental details, XPRD patterns, TGA curves and IR spectra. See http://www.rsc.org/suppdata/cc/b4/b404269g/ Chemical Communications (issue 18) (2004) 2058-2059
Space group: P 63 2 2
Cell volume: 4927.4
Cell parameters: 21.599; 21.599; 12.196; 90; 90; 120;  

COD ID: 7118458
CIF file Formula: - C150 H116 Cl2 Cu3 La6 N12 O56 -
Comments: Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units. Chemical communications (Cambridge, England) 52(7) (2016) 1455-1457
Space group: P 63 2 2
Cell volume: 7369.6
Cell parameters: 13.008; 13.008; 50.2913; 90; 90; 120;  

COD ID: 7119274
CIF file Formula: - C18 H36 Cu4 N10 O12 -
Comments: Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks. Chemical communications (Cambridge, England) 53(11) (2017) 1892-1895
Space group: P 63 2 2
Cell volume: 4613.6
Cell parameters: 19.613; 19.613; 13.849; 90; 90; 120;  

COD ID: 7119275
CIF file Formula: - C24 H48 Cu4 N10 O6 -
Comments: Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks. Chemical communications (Cambridge, England) 53(11) (2017) 1892-1895
Space group: P 63 2 2
Cell volume: 4639
Cell parameters: 19.603; 19.603; 13.939; 90; 90; 120;  

COD ID: 7119276
CIF file Formula: - C24 H48 Cu4 N10 O6 -
Comments: Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks. Chemical communications (Cambridge, England) 53(11) (2017) 1892-1895
Space group: P 63 2 2
Cell volume: 4630.1
Cell parameters: 19.593; 19.593; 13.927; 90; 90; 120;  

COD ID: 7119277
CIF file Formula: - C18 H30 Cu4 N10 O12 -
Comments: Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks. Chemical communications (Cambridge, England) 53(11) (2017) 1892-1895
Space group: P 63 2 2
Cell volume: 4662.5
Cell parameters: 19.6977; 19.6977; 13.8757; 90; 90; 120;  

COD ID: 7128167
CIF file Formula: - C90 H54 F24 Fe2 N12 P4 -
Comments: Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K. The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages. Chemical communications (Cambridge, England) 57(40) (2021) 4918-4921
Space group: P 63 2 2
Cell volume: 4335.1
Cell parameters: 13.4333; 13.4333; 27.74; 90; 90; 120;  

COD ID: 7132993
CIF file Formula: - C174 H256 N6 O34 S24 -
Comments: Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation. Chemical communications (Cambridge, England) 60(47) (2024) 6023-6026
Space group: P 63 2 2
Cell volume: 11479.6
Cell parameters: 19.9064; 19.9064; 33.451; 90; 90; 120;  

COD ID: 7154780
CIF file Formula: - C54 H72 N6 O3 -
Comments: Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin Readily prepared inclusion forming chiral calixsalens. Organic & biomolecular chemistry 14(2) (2015) 669-673
Space group: P 63 2 2
Cell volume: 6708.1
Cell parameters: 18.74; 18.74; 22.056; 90; 90; 120;  

COD ID: 7154781
CIF file Formula: - C54 H72 N6 O3 -
Comments: Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin Readily prepared inclusion forming chiral calixsalens. Organic & biomolecular chemistry 14(2) (2015) 669-673
Space group: P 63 2 2
Cell volume: 6644.8
Cell parameters: 18.64; 18.64; 22.083; 90; 90; 120;  

COD ID: 7214100
CIF file Formula: - C120 H180 Co6 N6 O50 Zr6 -
Comments: Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters CrystEngComm 16(1) (2014) 43
Space group: P 63 2 2
Cell volume: 7917
Cell parameters: 18.423; 18.423; 26.934; 90; 90; 120;  

COD ID: 7218068
CIF file Formula: - C3 H7 N O6 Zn -
Comments: Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K. Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework CrystEngComm 17(2) (2015) 370
Space group: P 63 2 2
Cell volume: 377.98
Cell parameters: 7.309; 7.309; 8.1701; 90; 90; 120;  

COD ID: 7226831
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm 18(46) (2016) 8849
Space group: P 63 2 2
Cell volume: 357.38
Cell parameters: 7.161; 7.161; 8.0474; 90; 90; 120;  

COD ID: 7226832
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm 18(46) (2016) 8849
Space group: P 63 2 2
Cell volume: 353.55
Cell parameters: 7.1208; 7.1208; 8.0513; 90; 90; 120;  

COD ID: 7226834
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm 18(46) (2016) 8849
Space group: P 63 2 2
Cell volume: 370.243
Cell parameters: 7.2864; 7.2864; 8.05248; 90; 90; 120;  

COD ID: 7226835
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm 18(46) (2016) 8849
Space group: P 63 2 2
Cell volume: 368.969
Cell parameters: 7.26097; 7.26097; 8.0811; 90; 90; 120;  

COD ID: 7228403
CIF file Formula: - C8 H18 N2 Ni2 O13 -
Comments: Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys. (2017)
Space group: P 63 2 2
Cell volume: 409.4
Cell parameters: 8.0241; 8.0241; 7.3421; 90; 90; 120;  

COD ID: 7229682
CIF file Formula: - C6 H24 Ag2 I4 Mn N6 -
Comments: Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine) CrystEngComm 20(3) (2018) 356
Space group: P 63 2 2
Cell volume: 1042.81
Cell parameters: 9.1366; 9.1366; 14.4247; 90; 90; 120;  

COD ID: 7229683
CIF file Formula: - C6 H24 Ag2 I4 Mg N6 -
Comments: Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine) CrystEngComm 20(3) (2018) 356
Space group: P 63 2 2
Cell volume: 1030.68
Cell parameters: 9.0744; 9.0744; 14.453; 90; 90; 120;  

COD ID: 7229709
CIF file Formula: - C6 H24 Ag2 Cd I4 N6 -
Comments: Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao; Duan, Hai-Bao; Zhang, H. Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid RSC Advances 7(89) (2017) 56153
Space group: P 63 2 2
Cell volume: 1075
Cell parameters: 9.2512; 9.2512; 14.504; 90; 90; 120;  

COD ID: 7231402
CIF file Formula: - C3 H7 Mn N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 399.19
Cell parameters: 7.3678; 7.3678; 8.4912; 90; 90; 120;  

COD ID: 7231403
CIF file Formula: - C3 H7 Mn N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 395.131
Cell parameters: 7.32804; 7.32804; 8.4964; 90; 90; 120;  

COD ID: 7231404
CIF file Formula: - C3 H7 Mn N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 395.52
Cell parameters: 7.33778; 7.33778; 8.4822; 90; 90; 120;  

COD ID: 7231413
CIF file Formula: - C3 H7 Fe N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 385.619
Cell parameters: 7.3163; 7.3163; 8.31849; 90; 90; 120;  

COD ID: 7231415
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 359.757
Cell parameters: 7.1831; 7.1831; 8.0511; 90; 90; 120;  

COD ID: 7231416
CIF file Formula: - C3 H7 Fe N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 386.58
Cell parameters: 7.3249; 7.3249; 8.3197; 90; 90; 120;  

COD ID: 7231417
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 354.64
Cell parameters: 7.1272; 7.1272; 8.0615; 90; 90; 120;  

COD ID: 7231418
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 366.179
Cell parameters: 7.24917; 7.24917; 8.04612; 90; 90; 120;  

COD ID: 7231419
CIF file Formula: - C3 H7 Fe N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 383.062
Cell parameters: 7.28439; 7.28439; 8.3359; 90; 90; 120;  

COD ID: 7231420
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 363.48
Cell parameters: 7.2211; 7.2211; 8.049; 90; 90; 120;  

COD ID: 7231421
CIF file Formula: - C3 H7 Fe N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 384.358
Cell parameters: 7.3044; 7.3044; 8.31833; 90; 90; 120;  

COD ID: 7231424
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 369.619
Cell parameters: 7.2789; 7.2789; 8.0555; 90; 90; 120;  

COD ID: 7231426
CIF file Formula: - C3 H7 Fe N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 383.337
Cell parameters: 7.29055; 7.29055; 8.32778; 90; 90; 120;  

COD ID: 7231427
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 357
Cell parameters: 7.15551; 7.15551; 8.05112; 90; 90; 120;  

COD ID: 7231430
CIF file Formula: - C3 H7 Mn N O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 391.31
Cell parameters: 7.2974; 7.2974; 8.485; 90; 90; 120;  

COD ID: 7231431
CIF file Formula: - C3 H7 N Ni O6 -
Comments: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP 20(37) (2018) 24465-24476
Space group: P 63 2 2
Cell volume: 369.776
Cell parameters: 7.28362; 7.28362; 8.04848; 90; 90; 120;  

COD ID: 7246794
CIF file Formula: - Al2 O4 Sr -
Comments: Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks RSC Advances 13(19) (2023) 12703-12711
Space group: P 63 2 2
Cell volume: 199.011
Cell parameters: 5.1765; 5.1765; 8.5758; 90; 90; 120;  

COD ID: 7248307
CIF file Formula: - C6 H24 Ag2 Co I4 N6 -
Comments: Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates CrystEngComm 26(16) (2024) 2172-2179
Space group: P 63 2 2
Cell volume: 1021.5
Cell parameters: 9.0389; 9.0389; 14.437; 90; 90; 120;  

COD ID: 7248308
CIF file Formula: - C6 H24 Ag2 Fe I4 N6 -
Comments: Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates CrystEngComm 26(16) (2024) 2172-2179
Space group: P 63 2 2
Cell volume: 1030.1
Cell parameters: 9.0851; 9.0851; 14.411; 90; 90; 120;  

COD ID: 8100180
CIF file Formula: - C6 H24 Co F6 Ga N6 -
Comments: Loiseau, Thierry; Serpaggi, Fabien; Ferey, Gérard Crystal structure of tris(ethylendiamine-N,N')cobalt(III) hexafluorogallate, Co(C~2~H~8~N~2~)~3~[GaF~6~] Zeitschrift für Kristallographie - New Crystal Structures 219(4) (2004) 469-470
Space group: P 63 2 2
Cell volume: 663.522
Cell parameters: 8.9594; 8.9594; 9.5448; 90; 90; 120;  

COD ID: 8103754
CIF file Formula: - Al Ba Ga O4 -
Comments: Kahlenberg, V.; Parise, J.B.; Tripathi, A.; Lee, Y. Characterization of the stuffed framework structures Ba Al Ga O4 and Ba Fe Ga O4 Zeitschrift fuer Kristallographie (149,1979-) 217 (2002) 249-255
Space group: P 63 2 2
Cell volume: 211.967
Cell parameters: 5.2788; 5.2788; 8.7835; 90; 90; 120;  

COD ID: 9000460
CIF file Formula: - Fe4.728 Mn0.272 O27 Ti9.67 -
Comments: Grey, I. E.; Reid, A. F. The structure of pseudorutile and its role in the natural alteration of ilmenite American Mineralogist 60 (1975) 898-906
Space group: P 63 2 2
Cell volume: 825.882
Cell parameters: 14.375; 14.375; 4.615; 90; 90; 120;  

COD ID: 9004540
CIF file Formula: - Ca Nb1.179 O11 Ta2.821 -
Comments: Cooper, M. A.; Hawthorne, F. C.; Cerny, P. Ta-Nb order in the crystal structure of niobium-rich calciotantite The Canadian Mineralogist 37 (1999) 1289-1294
Space group: P 63 2 2
Cell volume: 412.25
Cell parameters: 6.2261; 6.2261; 12.28; 90; 90; 120;  

COD ID: 9009527
CIF file Formula: - Ca0.94 Na0.06 Nb0.13 O10.97 Ta3.86 -
Comments: Yamnova, N. A.; Pushcharovsky D Yu; Voloshin, A. V. Identity of ungursaite with calciotantite and synthetic CaTa4O11 Note: displacement parameters taken from ICSD Soviet Physics Crystallography 33 (1988) 498-499
Space group: P 63 2 2
Cell volume: 416.209
Cell parameters: 6.245; 6.245; 12.323; 90; 90; 120;  

COD ID: 9011966
CIF file Formula: - Mn0.98 Nb3 S6 -
Comments: Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N. The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6 Journal of Physics and Chemistry of Solids 31 (1970) 1057-1067
Space group: P 63 2 2
Cell volume: 365.642
Cell parameters: 5.782; 5.782; 12.629; 90; 90; 120;  

COD ID: 9011967
CIF file Formula: - Nb3 Ni S6 -
Comments: Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N. The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6 Journal of Physics and Chemistry of Solids 31 (1970) 1057-1067
Space group: P 63 2 2
Cell volume: 342.466
Cell parameters: 5.768; 5.768; 11.886; 90; 90; 120;  

COD ID: 9011968
CIF file Formula: - Co0.95 Nb3 S6 -
Comments: Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N. The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6 Journal of Physics and Chemistry of Solids 31 (1970) 1057-1067
Space group: P 63 2 2
Cell volume: 342.466
Cell parameters: 5.768; 5.768; 11.886; 90; 90; 120;  

COD ID: 9011969
CIF file Formula: - Fe Nb3 S6 -
Comments: Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N. The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6 Journal of Physics and Chemistry of Solids 31 (1970) 1057-1067
Space group: P 63 2 2
Cell volume: 350.689
Cell parameters: 5.761; 5.761; 12.201; 90; 90; 120;  


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