Crystallography Open Database

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Searching space group like 'P 63 c m'

COD ID: 1000370
CIF file Formula: - Cs3 F9 Ga2 -
Comments: de Kozak, A; Mary, Y; Gredin, P; Renaudin, J; Ferey, G; Babel, D The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9 European Journal of Solid State Inorganic Chemistry 31 (1994) 115-122
Space group: P 63 c m
Cell volume: 1530.8
Cell parameters: 10.945; 10.945; 14.756; 90; 90; 120;  

COD ID: 1008751
CIF file Formula: - F3 La -
Comments: de Rango, C; Tsoucaris, G; Zelwer, C Determination de la structure du fluorure de lanthane La F3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 263 (1966) 64-66
Space group: P 63 c m
Cell volume: 326.8
Cell parameters: 7.16; 7.16; 7.36; 90; 90; 120;  

COD ID: 1008915
CIF file Formula: - Lu Mn O3 -
Comments: Yakel, H L; Koehler, W C; Bertaut, E F; Forrat, E F On the crystal structure of the manganese(III) trioxides of the heavy lanthanides and yttrium Acta Crystallographica (1,1948-23,1967) 16 (1963) 957-962
Space group: P 63 c m
Cell volume: 359.5
Cell parameters: 6.042; 6.042; 11.37; 90; 90; 120;  

COD ID: 1011023
CIF file Formula: - H2 O -
Comments: Bernal, J D; Fowler, R H A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions Journal of Chemical Physics 1 (1933) 515-548
Space group: P 63 c m
Cell volume: 389.8
Cell parameters: 7.82; 7.82; 7.36; 90; 90; 120;  

COD ID: 1510082
CIF file Formula: - Au Cd3 -
Comments: Schubert, K.; Alasafi, K.M. Kristallstruktur von Au Cd3 Journal of the Less-Common Metals 51 (1977) 225-233
Space group: P 63 c m
Cell volume: 489.223
Cell parameters: 8.147; 8.147; 8.511; 90; 90; 120;  

COD ID: 1510872
CIF file Formula: - B3 Ba3 Ho O9 -
Comments: Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double borates Ln Ba3 (B O3)3 (Ln= Dy, Ho,T m, Yb, Lu) Zhurnal Neorganicheskoi Khimii 38 (1993) 1625-1630
Space group: P 63 c m
Cell volume: 1353.88
Cell parameters: 9.425; 9.425; 17.599; 90; 90; 120;  

COD ID: 1510873
CIF file Formula: - B3 Ba3 Lu O9 -
Comments: Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double borates LnBa3(BO3)3(Ln=Dy,Ho,Tm,Yb,Lu) Zhurnal Neorganicheskoi Khimii 38 (1993) 1625-1630
Space group: P 63 c m
Cell volume: 1327.99
Cell parameters: 9.382; 9.382; 17.421; 90; 90; 120;  

COD ID: 1510874
CIF file Formula: - B3 Ba3 O9 Tm -
Comments: Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double borates LnBa3(BO3)3(Ln=Dy,Ho,Tm,Yb,Lu) Zhurnal Neorganicheskoi Khimii 38 (1993) 1625-1630
Space group: P 63 c m
Cell volume: 1335.88
Cell parameters: 9.395; 9.395; 17.476; 90; 90; 120;  

COD ID: 1510875
CIF file Formula: - B3 Ba3 O9 Y -
Comments: Wang Guofu; Pan Shangke Structure of low temperature phase beta-(Ba3 Y (B O3)3) crystal Jiegon Huaxue 22 (2003) 187-189
Space group: P 63 c m
Cell volume: 1346.46
Cell parameters: 9.416; 9.416; 17.536; 90; 90; 120;  

COD ID: 1510878
CIF file Formula: - B3 Ba3 O9 Yb -
Comments: Khamaganova, T.N.; Bazarova, Zh.G.; Kuperman, N.M. The double borates Ba3 Ln (B O3)3, Ln = La-Lu, Y Journal of Solid State Chemistry 145 (1999) 33-36
Space group: P 63 c m
Cell volume: 1340.81
Cell parameters: 9.411; 9.411; 17.481; 90; 90; 120;  

COD ID: 1510879
CIF file Formula: - B3 Ba3 O9 Yb -
Comments: Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double borates LnBa3(BO3)3(Ln=Dy,Ho,Tm,Yb,Lu) Zhurnal Neorganicheskoi Khimii 38 (1993) 1625-1630
Space group: P 63 c m
Cell volume: 1329.8
Cell parameters: 9.383; 9.383; 17.441; 90; 90; 120;  

COD ID: 1524041
CIF file Formula: - Ba10 Br2 O30 Re6 -
Comments: Baud, G.; Besse, J.P.; Smeur, G.; Chevalier, R. Structure de nouvelles Apatites au rhenium contenant des anions voluminaux: Ba10 (RE O5)6 X2 (X = Br, I) Materials Research Bulletin 14 (1979) 675-682
Space group: P 63 c m
Cell volume: 811.416
Cell parameters: 10.967; 10.967; 7.79; 90; 90; 120;  

COD ID: 1524042
CIF file Formula: - Ba10 H1.23 I0.77 O31.23 Re6 -
Comments: Baud, G.; Besse, J.P.; Smeur, G.; Chevalier, R. Structure de nouvelles Apatites au rhenium contenant des anions voluminaux: Ba10 (RE O5)6 X2 (X = Br, I) Materials Research Bulletin 14 (1979) 675-682
Space group: P 63 c m
Cell volume: 804.797
Cell parameters: 10.932; 10.932; 7.776; 90; 90; 120;  

COD ID: 1524071
CIF file Formula: - Ba5 O16 Re3 -
Comments: Besse, J.P.; Chevalier, R.; Baud, G.; Zarembowitch, J. Mise en evidence de l'ion (O2)(-) dans l'apatite au rhenium Ba5 (Re O5)3 O2 Materials Research Bulletin 15 (1980) 1255-1261
Space group: P 63 c m
Cell volume: 801.648
Cell parameters: 10.912; 10.912; 7.774; 90; 90; 120;  

COD ID: 1527640
CIF file Formula: - As2 Ni5 -
Comments: Kjekshus, A.; Skaug, K.E. On the crystal structure of Ni5 As2 Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 582-588
Space group: P 63 c m
Cell volume: 503.015
Cell parameters: 6.815; 6.815; 12.506; 90; 90; 120;  

COD ID: 1527899
CIF file Formula: - Cu3 P -
Comments: Olofsson, O. The crystal structure of Cu3 P Acta Chemica Scandinavica (1-27,1973-42,1988) 26 (1972) 2777-2787
Space group: P 63 c m
Cell volume: 299.6
Cell parameters: 6.9593; 6.9593; 7.143; 90; 90; 120;  

COD ID: 1528420
CIF file Formula: - La8 O21 Ru4 -
Comments: Cotton, F.A.; Rice, C.E. La8 Ru4 O21: A mixed-valence ternary ruthenium oxide of a new hexagonal structure type Journal of Solid State Chemistry 24 (1978) 359-365
Space group: P 63 c m
Cell volume: 914.342
Cell parameters: 9.885; 9.885; 10.805; 90; 90; 120;  

COD ID: 1530071
CIF file Formula: - Br3 Rb V -
Comments: Hauser, A.; Falk, U.; Fischer, P.; Guedel, H.U. Magnetic order in A V X3 (A= Rb, Cs, (C D3)4 N; X= Cl, Br, I): A neutron diffraction study Journal of Solid State Chemistry 56 (1985) 343-354
Space group: P 63 c m
Cell volume: 879.062
Cell parameters: 12.746; 12.746; 6.248; 90; 90; 120;  

COD ID: 1531437
CIF file Formula: - Cu O6 Ti Y2 -
Comments: Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 378.791
Cell parameters: 6.172; 6.172; 11.482; 90; 90; 120;  

COD ID: 1531439
CIF file Formula: - Cu O6 Tb2 Ti -
Comments: Floros, N.; Rijssenbeek, J.T.; Poeppelmeier, K.R.; Martinson, A.B. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 386.644
Cell parameters: 6.252; 6.252; 11.422; 90; 90; 120;  

COD ID: 1531442
CIF file Formula: - Cu Dy2 O6 Ti -
Comments: Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 383.998
Cell parameters: 6.214; 6.214; 11.483; 90; 90; 120;  

COD ID: 1531445
CIF file Formula: - Cu Ho2 O6 Ti -
Comments: Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 380.336
Cell parameters: 6.18; 6.18; 11.499; 90; 90; 120;  

COD ID: 1531447
CIF file Formula: - Cu Er2 O6 Ti -
Comments: Floros, N.; Poeppelmeier, K.R.; Rijssenbeek, J.T.; Martinson, A.B. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 376.147
Cell parameters: 6.144; 6.144; 11.506; 90; 90; 120;  

COD ID: 1531450
CIF file Formula: - Cu O6 Ti Tm2 -
Comments: Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 372.296
Cell parameters: 6.113; 6.113; 11.504; 90; 90; 120;  

COD ID: 1531453
CIF file Formula: - Cu O6 Ti Yb2 -
Comments: Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 370.461
Cell parameters: 6.095; 6.095; 11.515; 90; 90; 120;  

COD ID: 1531456
CIF file Formula: - Cu Lu2 O6 Ti -
Comments: Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R. Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds Solid State Sciences 4 (2002) 1495-1498
Space group: P 63 c m
Cell volume: 365.887
Cell parameters: 6.057; 6.057; 11.516; 90; 90; 120;  

COD ID: 1531913
CIF file Formula: - Al0.06 Cr0.04 H K1.32 Mg1.9 O7 Si2 -
Comments: Mancini, F.; Harlow, G.E.; Cahill, C. The crystal structure and cation ordering of Phase-X- (K1-x-n)2 (Mg1-n (Al, Cr)n)2 Si2 O7 H2x : a potential K- and H-bearing phase in the mantle American Mineralogist 87 (2002) 302-306
Space group: P 63 c m
Cell volume: 289.348
Cell parameters: 5.028; 5.028; 13.216; 90; 90; 120;  

COD ID: 1532806
CIF file Formula: - B3 Ba3 O9 Y -
Comments: Li, X.Z.; Chen, X.L.; Wu, L.; Zhou, T.; Cao, Y.G.; Xu, Y.P. Ba3 Y B3 O9 : phase transition and crystal structure Journal of Alloys Compd. 370 (2004) 53-58
Space group: P 63 c m
Cell volume: 1351.87
Cell parameters: 9.41908; 9.41908; 17.5949; 90; 90; 120;  

COD ID: 1532983
CIF file Formula: - Dy Mn O3 -
Comments: Kamegashira, N.; Satoh, H.; Ashizuka, S. Synthesis and crystal structure of hexagonal Dy Mn O3 Materials Science Forum 449 (2004) 1045-1048
Space group: P 63 c m
Cell volume: 379.071
Cell parameters: 6.1822; 6.1822; 11.4526; 90; 90; 120;  

COD ID: 1533192
CIF file Formula: - Ba3 Cr S5 -
Comments: Fukuoka, H.; Miyaki, Y.; Yamanaka, S. High-pressure synthesis and structures of novel chromium sulfides, Ba3 Cr S5 and Ba3 Cr2 S6 with one-dimensional chain structures Journal of Solid State Chemistry 176 (2003) 206-212
Space group: P 63 c m
Cell volume: 446.167
Cell parameters: 9.1208; 9.1208; 6.193; 90; 90; 120;  

COD ID: 1533975
CIF file Formula: - Lu Mn O3 -
Comments: Katsufuji, T.; Masaki, M.; Machida, A.; Moritomo, M.; Takagi, H.; Kato, K.; Sakata, M.; Takata, M.; Ohoyama, K.; Nishibori, E.; Kitazawa, K. Crystal structure and magnetic properties of hexagonal R Mn O3 (R= Y, Lu and Sc) and the effect of doping Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 134434-1-134434-8
Space group: P 63 c m
Cell volume: 361.11
Cell parameters: 6.0459; 6.0459; 11.4074; 90; 90; 120;  

COD ID: 1533978
CIF file Formula: - Mn O3 Y -
Comments: Katsufuji, T.; Masaki, M.; Nishibori, E.; Machida, A.; Ohoyama, K.; Takagi, H.; Kato, K.; Moritomo, M.; Kitazawa, K.; Sakata, M.; Takata, M. Crystal structure and magnetic properties of hexagonal R Mn O3 (R= Y, Lu and Sc) and the effect of doping Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 134434-1-134434-8
Space group: P 63 c m
Cell volume: 374.618
Cell parameters: 6.1483; 6.1483; 11.4432; 90; 90; 120;  

COD ID: 1533980
CIF file Formula: - Mn O3 Y0.8 Zr0.2 -
Comments: Katsufuji, T.; Sakata, M.; Machida, A.; Masaki, M.; Kato, K.; Moritomo, M.; Ohoyama, K.; Nishibori, E.; Takata, M.; Takagi, H.; Kitazawa, K. Crystal structure and magnetic properties of hexagonal R Mn O3 (R= Y, Lu and Sc) and the effect of doping Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 134434-1-134434-8
Space group: P 63 c m
Cell volume: 365.3
Cell parameters: 6.1258; 6.1258; 11.2407; 90; 90; 120;  

COD ID: 1534589
CIF file Formula: - Ba5 N O18 Re3 -
Comments: Aneas, M.; Besse, J.P.; Picard, J.P.; Baud, G.; Chevalier, R. Mise en evidence de l'ion N O3(-) dans l'apatite au rhenium Ba5 (Re O5)3 N O3 Materials Chemistry and Physics 8 (1983) 119-123
Space group: P 63 c m
Cell volume: 816.722
Cell parameters: 11.054; 11.054; 7.718; 90; 90; 120;  

COD ID: 1534862
CIF file Formula: - Ba5 F O15 Re3 -
Comments: Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G. Comparative d'apatites contenant l'ion (Re O5)3-. Structure des fluoro et carbonatoapatites Annales de Chimie (Paris) 5 (1980) 575-583
Space group: P 63 c m
Cell volume: 797.873
Cell parameters: 10.83; 10.83; 7.855; 90; 90; 120;  

COD ID: 1534866
CIF file Formula: - C0.5 Ba5 O15 Re3 -
Comments: Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G. Comparative d'apatites contenant l'ion (re O5)(3-). Structure des fluoro et carbonatoapatites Annales de Chimie (Paris) 5 (1980) 575-583
Space group: P 63 c m
Cell volume: 806.924
Cell parameters: 10.938; 10.938; 7.788; 90; 90; 120;  

COD ID: 1535337
CIF file Formula: - In0.97 Ir Mg2.03 -
Comments: Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R. Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type Intermetallics 12 (2004) 383-387
Space group: P 63 c m
Cell volume: 450.684
Cell parameters: 7.887; 7.887; 8.366; 90; 90; 120;  

COD ID: 1535341
CIF file Formula: - In0.8 Ir Mg2.2 -
Comments: Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R. Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type Intermetallics 12 (2004) 383-387
Space group: P 63 c m
Cell volume: 448.469
Cell parameters: 7.886; 7.886; 8.327; 90; 90; 120;  

COD ID: 1537007
CIF file Formula: - Cu3 I3 P4 S4 -
Comments: Reiser, S.; Brunklaus, G.; Hong, J.H.; Chan, J.C.C.; Pfitzner, A.; Eckert, H. (Cu I)3 P4 S4: preparation, structural and NMR spectroscopic characterization of a copper(I) halide adduct with beta- (P4 S4) Chemistry - A European Journal 8 (2002) 4228-4233
Space group: P 63 c m
Cell volume: 2109.94
Cell parameters: 19.082; 19.082; 6.691; 90; 90; 120;  

COD ID: 1537577
CIF file Formula: - F3 U -
Comments: Laveissiere, J. Application de la diffraction de neutrons a l'etude de la structure Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 304-307
Space group: P 63 c m
Cell volume: 327.831
Cell parameters: 7.179; 7.179; 7.345; 90; 90; 120;  

COD ID: 1538262
CIF file Formula: - Ge Li8 O6 -
Comments: Hofmann, R.; Hoppe, R. Ein neues Oxogermanat: Li8 Ge O6 = Li8 O2 (Ge O4) (Mit einer Bemerkung ueber Li8 Si O6 und Li4 Ge O4 ) Zeitschrift fuer Anorganische und Allgemeine Chemie 555 (1987) 118-128
Space group: P 63 c m
Cell volume: 280.979
Cell parameters: 5.5009; 5.5009; 10.722; 90; 90; 120;  

COD ID: 1538264
CIF file Formula: - Li8 O6 Si -
Comments: Hofmann, R.; Hoppe, R. Ein neues Oxogermanat: Li8 Ge O6 = Li8 O2 (Ge O4) (Mit einer Bemerkung ueber Li8 Si O6 und Li4 Ge O4 ) Zeitschrift fuer Anorganische und Allgemeine Chemie 555 (1987) 118-128
Space group: P 63 c m
Cell volume: 270.762
Cell parameters: 5.4243; 5.4243; 10.626; 90; 90; 120;  

COD ID: 1539988
CIF file Formula: - I3 Rb V -
Comments: Zandbergen, H.W. Neutron Powder Diffraction and Magnetic Measurements on Rb Ti I3, Rb V I3, and Cs V I3 Journal of Solid State Chemistry 37 (1981) 308-317
Space group: P 63 c m
Cell volume: 1132.92
Cell parameters: 13.863; 13.863; 6.807; 90; 90; 120;  

COD ID: 1539989
CIF file Formula: - I3 Rb Ti -
Comments: Zandbergen, H.W. Neutron Powder Diffraction and Magnetic Measurements on Rb Ti I3, Rb V I3, and Cs V I3 Journal of Solid State Chemistry 37 (1981) 308-317
Space group: P 63 c m
Cell volume: 1157.52
Cell parameters: 14.024; 14.024; 6.796; 90; 90; 120;  

COD ID: 1560625
CIF file Formula: - Mn O3 Y -
Comments: Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry 246 (2017) 29-41
Space group: P 63 c m
Cell volume: 372.451
Cell parameters: 6.14624; 6.14624; 11.38463; 90; 90; 120;  

COD ID: 1560626
CIF file Formula: - Mn O3 Y -
Comments: Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry 246 (2017) 29-41
Space group: P 63 c m
Cell volume: 376.428
Cell parameters: 6.18081; 6.18081; 11.37786; 90; 90; 120;  

COD ID: 1560627
CIF file Formula: - Mn O3 Y -
Comments: Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry 246 (2017) 29-41
Space group: P 63 c m
Cell volume: 379.9
Cell parameters: 6.21121; 6.21121; 11.37066; 90; 90; 120;  

COD ID: 1560628
CIF file Formula: - Mn O3 Y -
Comments: Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry 246 (2017) 29-41
Space group: P 63 c m
Cell volume: 381.151
Cell parameters: 6.222219; 6.222219; 11.36779; 90; 90; 120;  

COD ID: 1560629
CIF file Formula: - Mn O3 Y -
Comments: Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry 246 (2017) 29-41
Space group: P 63 c m
Cell volume: 383.583
Cell parameters: 6.24323; 6.24323; 11.36346; 90; 90; 120;  

COD ID: 1560630
CIF file Formula: - Mn O3 Y -
Comments: Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry 246 (2017) 29-41
Space group: P 63 c m
Cell volume: 385.607
Cell parameters: 6.26324; 6.26324; 11.35052; 90; 90; 120;  

COD ID: 1565090
CIF file Formula: - Ba3 Ga28 K2 Li6 S49 -
Comments: Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map. Materials horizons 8(12) (2021) 3394-3398
Space group: P 63 c m
Cell volume: 3851.79
Cell parameters: 19.2135; 19.2135; 12.0481; 90; 90; 120;  

COD ID: 1565091
CIF file Formula: - Ba3 Cs2 Ga28 Li6 S49 -
Comments: Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map. Materials horizons 8(12) (2021) 3394-3398
Space group: P 63 c m
Cell volume: 3901.23
Cell parameters: 19.306; 19.306; 12.0861; 90; 90; 120;  

COD ID: 1565092
CIF file Formula: - Ba3 Ga28 Li6 Rb2 S49 -
Comments: Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map. Materials horizons 8(12) (2021) 3394-3398
Space group: P 63 c m
Cell volume: 3860.42
Cell parameters: 19.2355; 19.2355; 12.0475; 90; 90; 120;  

COD ID: 1568476
CIF file Formula: - C36 H30 B P -
Comments: Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo An easy-to-perform evaluation of steric properties of Lewis acids Chemical Science 14(9) (2023) 2275-2288
Space group: P 63 c m
Cell volume: 670.68
Cell parameters: 9.8279; 9.8279; 8.0179; 90; 90; 120;  

COD ID: 1568586
CIF file Formula: - In O3 Tb -
Comments: Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone Crystals 13(2) (2023) 287
Space group: P 63 c m
Cell volume: 424.195
Cell parameters: 6.3088; 6.3088; 12.3067; 90; 90; 120;  

COD ID: 1570780
CIF file Formula: - Ba2 F31 K3 Zr6 -
Comments: Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters. Chemical science 15(8) (2024) 2883-2888
Space group: P 63 c m
Cell volume: 1183.87
Cell parameters: 9.4435; 9.4435; 15.3288; 90; 90; 120;  

COD ID: 2011820
CIF file

Original IUCr paper

 Formula: - Mn O3 Y -
Comments: Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M. Hexagonal YMnO~3~ Acta Crystallographica Section C 57(3) (2001) 230-232
Space group: P 63 c m
Cell volume: 372.27
Cell parameters: 6.1387; 6.1387; 11.4071; 90; 90; 120;  

COD ID: 2011821
CIF file

HKL data

Original IUCr paper

 Formula: - Mn O3 Y -
Comments: Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M. Hexagonal YMnO~3~ Acta Crystallographica Section C 57(3) (2001) 230-232
Space group: P 63 c m
Cell volume: 371.06
Cell parameters: 6.1277; 6.1277; 11.411; 90; 90; 120;  

COD ID: 2017068
CIF file

Original IUCr paper

 Formula: - Ba Li2 O4 Si -
Comments: Kim, Jinyoung; Ahn, Docheon; Kulshreshtha, Chandramouli; Sohn, Kee-Sun; Shin, Namsoo Lithium barium silicate, Li~2~BaSiO~4~, from synchrotron powder data Acta Crystallographica Section C 65(4) (2009) i14-i16
Space group: P 63 c m
Cell volume: 602.38
Cell parameters: 8.1004; 8.1004; 10.60052; 90; 90; 120;  

COD ID: 2021794
CIF file

Original IUCr paper

 Formula: - C15 H24 O3 -
Comments: Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V. Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane Acta Crystallographica Section E Crystallographic Communications 75(11) (2019) 1578
Space group: P 63 c m
Cell volume: 687.68
Cell parameters: 9.9966; 9.9966; 7.9461; 90; 90; 120;  

COD ID: 2106118
CIF file Formula: - Cl3 K Ni -
Comments: Visser, D.; Ijdo, D.J.W.; Verschoor, G.C. The structure of K Ni Cl3 at room temperature Acta Crystallographica B (24,1968-38,1982) 36 (1980) 28-34
Space group: P 63 c m
Cell volume: 713.983
Cell parameters: 11.795; 11.795; 5.926; 90; 90; 120;  

COD ID: 2106682
CIF file Formula: - Ga O3 Y -
Comments: Geller, S.; Jeffries, J.B.; Curlander, P.J. The crystal structure of a new high-temperature modification of Y Ga O3 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2770-2774
Space group: P 63 c m
Cell volume: 370.008
Cell parameters: 6.065; 6.065; 11.615; 90; 90; 120;  

COD ID: 2200261
CIF file Formula: - Er Mn O3 -
Comments: Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M. Hexagonal ErMnO~3~ Acta Crystallographica, Section E 57 (2001) i38-i40
Space group: P 63 c m
Cell volume: 369.47
Cell parameters: 6.1121; 6.1121; 11.42; 90; 90; 120;  

COD ID: 2200581
CIF file Formula: - Mn O3 Yb -
Comments: Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M. Hexagonal YbMnO~3~ revisited Acta Crystallographica, Section E 57 (2001) i87-i89
Space group: P 63 c m
Cell volume: 360.97
Cell parameters: 6.0584; 6.0584; 11.3561; 90; 90; 120;  

COD ID: 2200582
CIF file Formula: - Lu Mn O3 -
Comments: Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M. Hexagonal LuMnO~3~ revisited Acta Crystallographica, Section E 57 (2001) i101-i103
Space group: P 63 c m
Cell volume: 358.7
Cell parameters: 6.038; 6.038; 11.361; 90; 90; 120;  

COD ID: 2218761
CIF file

HKL data

Original IUCr paper

 Formula: - C21 H36 O3 -
Comments: Moreno-Fuquen, Rodolfo; Rios, Eunice; Paredes, Rodrigo; Jaramillo, Luz Marina; Zukerman-Schpector, Julio Redetermination of 2,4,6-tricyclohexyl-1,3,5-trioxane Acta Crystallographica Section E 64(7) (2008) o1301
Space group: P 63 c m
Cell volume: 972.45
Cell parameters: 11.8542; 11.8542; 7.9908; 90; 90; 120;  

COD ID: 2300161
CIF file

Original IUCr paper

 Formula: - Mn O3 Y -
Comments: Jeong, Il-Kyoung; Hur, N.; Proffen, Th. High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~ Journal of Applied Crystallography 40(4) (2007) 730-734
Space group: P 63 c m
Cell volume: 381.241
Cell parameters: 6.22215; 6.22215; 11.37072; 90; 90; 120;  

COD ID: 2300163
CIF file

Original IUCr paper

 Formula: - Mn O3 Yb -
Comments: Jeong, Il-Kyoung; Hur, N.; Proffen, Th. High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~ Journal of Applied Crystallography 40(4) (2007) 730-734
Space group: P 63 c m
Cell volume: 370.759
Cell parameters: 6.132019; 6.132019; 11.38556; 90; 90; 120;  

COD ID: 2310677
CIF file Formula: - Fe4 H5 O9 Si -
Comments: Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967) 16 (1963) 1-8
Space group: P 63 c m
Cell volume: 369.867
Cell parameters: 5.49; 5.49; 14.17; 90; 90; 120;  

COD ID: 4000462
CIF file Formula: - C6 K2 Mg2 N6 O3 S6 -
Comments: Chemistry of Materials (2004)
Space group: P 63 c m
Cell volume: 1175.9
Cell parameters: 8.8525; 8.8525; 17.327; 90; 90; 120;  

COD ID: 4001094
CIF file Formula: - C3 H31 Co8 O34 P9 -
Comments: Zhao, Lang; Li, Jiyang; Chen, Peng; Li, Guanghua; Yu, Jihong; Xu, Ruren 2H3O·[Co8(HPO3)9(CH3OH)3]·2H2O: An Open-Framework Cobalt Phosphite Containing Extra-Large 18-Ring Channels Chemistry of Materials 20(1) (2008) 17
Space group: P 63 c m
Cell volume: 1852.6
Cell parameters: 15.141; 15.141; 9.3313; 90; 90; 120;  

COD ID: 4001737
CIF file Formula: - B3 Ba3 O9 Sc -
Comments: Cox, J.R.; Huang, J.-F.; Keszler, D.A. The layered borates Ba3 M (B O3)3 (M=Dy,Ho,Y,Er,Tm,Yb,Lu and Sc) Chemistry of Materials (1,1989-) 6 (1994) 2008-2013
Space group: P 63 c m
Cell volume: 1263.39
Cell parameters: 9.227; 9.227; 17.135; 90; 90; 120;  

COD ID: 4002229
CIF file Formula: - Ba Mn O3 -
Comments: Cussen, E.J.; Battle, P.D. Crystal and magnetic structures of 2H Ba Mn O3 Chemistry of Materials (1,1989-) 12 (2000) 831-838
Space group: P 63 c m
Cell volume: 403.675
Cell parameters: 9.8467; 9.8467; 4.8075; 90; 90; 120;  

COD ID: 4002323
CIF file Formula: - Ho Mn O3 -
Comments: Munoz, A.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T. Evolution of the magnetic structure of hexagonal Ho Mn O3 from neutron powder diffraction data Chemistry of Materials (1,1989-) 13 (2001) 1497-1505
Space group: P 63 c m
Cell volume: 372.753
Cell parameters: 6.1413; 6.1413; 11.4122; 90; 90; 120;  

COD ID: 4002672
CIF file Formula: - Ba14 Mn1.75 O42 Ta10.5 -
Comments: Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering Chemistry of Materials 28(13) (2016) 4686
Space group: P 63 c m
Cell volume: 2941.48
Cell parameters: 10.07782; 10.07782; 33.44271; 90; 90; 120;  

COD ID: 4031663
CIF file Formula: - In O3 Y -
Comments: Pistorius, C.W.F.T.; Kruger, G.J. Stability and structure of noncentrosymmetric hexagonal Ln In O3. (Ln = Eu, Gd, Tb, Dy, Ho, Y) Journal of Inorganic and Nuclear Chemistry 38 (1976) 1471-1475
Space group: P 63 c m
Cell volume: 415.7
Cell parameters: 6.26; 6.26; 12.249; 90; 90; 120;  

COD ID: 4105295
CIF file Formula: - Cu3 P -
Comments: Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society 131 (2009) 16177-16188
Space group: P 63 c m
Cell volume: 302.68
Cell parameters: 6.9986; 6.9986; 7.1357; 90; 90; 120;  

COD ID: 4105420
CIF file Formula: - In0.37 Mn0.63 O3 Y -
Comments: Andrew E. Smith; Hiroshi Mizoguchi; Kris Delaney; Nicola A. Spaldin; Arthur W. Sleight; M. A. Subramanian Mn3+ in Trigonal Bipyramidal Coordination: A New Blue Chromophore Journal of the American Chemical Society 131 (2009) 17084-17086
Space group: P 63 c m
Cell volume: 388.15
Cell parameters: 6.1709; 6.1709; 11.77; 90; 90; 120;  

COD ID: 4316790
CIF file Formula: - Ag2 Cs S6 Te -
Comments: Sandy L. Nguyen; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis (Ag2TeS3)2.A2S6 (A = Rb, Cs): Layers of Silver Thiotellurite Intergrown with Alkali-Metal Polysulfides Inorganic Chemistry 49 (2010) 9098-9100
Space group: P 63 c m
Cell volume: 4838.3
Cell parameters: 19.41; 19.41; 14.829; 90; 90; 120;  

COD ID: 4316791
CIF file Formula: - Ag2 Rb S6 Te -
Comments: Sandy L. Nguyen; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis (Ag2TeS3)2.A2S6 (A = Rb, Cs): Layers of Silver Thiotellurite Intergrown with Alkali-Metal Polysulfides Inorganic Chemistry 49 (2010) 9098-9100
Space group: P 63 c m
Cell volume: 4648.2
Cell parameters: 19.146; 19.146; 14.642; 90; 90; 120;  

COD ID: 4322004
CIF file Formula: - Cu3 I3 P4 Se4 -
Comments: Arno Pfitzner; Sara Reiser (CuI)~3~P~4~Se~4~: β-P~4~Se~4~ Cages between Columns of Copper Iodide Inorganic Chemistry 38 (1999) 2451-2454
Space group: P 63 c m
Cell volume: 2235.8
Cell parameters: 19.601; 19.601; 6.7196; 90; 90; 120;  

COD ID: 4324111
CIF file Formula: - Ge21 O51 -
Comments: Bing Guo; Andrew K. Inge; Charlotte Bonneau; Junliang Sun; Kirsten E. Christensen; Zhong-Yong Yuan; Xiaodong Zou Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings Inorganic Chemistry 50 (2011) 201-207
Space group: P 63 c m
Cell volume: 14793
Cell parameters: 28.794; 28.794; 20.603; 90; 90; 120;  

COD ID: 4331670
CIF file Formula: - Ba7 S15 Sn5 -
Comments: Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20 Inorganic Chemistry 52 (2013) 273-279
Space group: P 63 c m
Cell volume: 4598.19
Cell parameters: 25.1234; 25.1234; 8.412; 90; 90; 120;  

COD ID: 4344978
CIF file Formula: - C21 H9 N O8 Pb2 -
Comments: Wu, Yun-Long; Qian, Jinjie; Yang, Guo-Ping; Yang, Fan; Liang, Yu-Tong; Zhang, Wen-Yan; Wang, Yao-Yu High CO2 Uptake Capacity and Selectivity in a Fascinating Nanotube-Based Metal-Organic Framework. Inorganic chemistry 56(2) (2017) 908-913
Space group: P 63 c m
Cell volume: 5143
Cell parameters: 21.346; 21.346; 13.033; 90; 90; 120;  

COD ID: 4348516
CIF file Formula: - C24.67 H30.67 Co0.5 N3.33 O14.67 Zn2.5 -
Comments: Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks. Inorganic chemistry 55(18) (2016) 9250-9257
Space group: P 63 c m
Cell volume: 5262
Cell parameters: 18.389; 18.389; 17.969; 90; 90; 120;  

COD ID: 4348517
CIF file Formula: - C24.67 H30.67 N3.33 O14.67 Zn3 -
Comments: Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks. Inorganic chemistry 55(18) (2016) 9250-9257
Space group: P 63 c m
Cell volume: 5249
Cell parameters: 18.368; 18.368; 17.964; 90; 90; 120;  

COD ID: 4350522
CIF file Formula: - C21 H11.8 N3 O13.4 Y2 -
Comments: Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials. Inorganic chemistry 45(22) (2006) 8838-8840
Space group: P 63 c m
Cell volume: 1703
Cell parameters: 16.239; 16.239; 7.458; 90; 90; 120;  

COD ID: 4350523
CIF file Formula: - C21 H15 Er2 N3 O15 -
Comments: Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials. Inorganic chemistry 45(22) (2006) 8838-8840
Space group: P 63 c m
Cell volume: 1689.6
Cell parameters: 16.224; 16.224; 7.412; 90; 90; 120;  

COD ID: 7035412
CIF file Formula: - Ba8 Nb5.1 O24 Sb0.9 Zn -
Comments: Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites. Dalton transactions (Cambridge, England : 2003) 44(29) (2015) 13173-13185
Space group: P 63 c m
Cell volume: 1677.31
Cell parameters: 10.08267; 10.08267; 19.05159; 90; 90; 120;  

COD ID: 7110006
CIF file Formula: - C53 H72 B3 F12 N6 -
Comments: Candela Segarra; Jens Linke; Elena Mas-Marza; Dietmar Kuck; Eduardo Peris A C3v-symmetrical tribenzotriquinacene-based threefold N-heterocyclic carbene. Coordination to rhodium(I) and stereoelectronic properties Chem.Commun. 49 (2013) 10572
Space group: P 63 c m
Cell volume: 2696.4
Cell parameters: 15.7431; 15.7431; 12.5624; 90; 90; 120;  

COD ID: 7204780
CIF file Formula: - C36 H42 Eu2 O12 -
Comments: Franck Millange; Christian Serre; Jérôme Marrot; Nicole Gardant; Fabienne Pellé; Gérard Férey Synthesis, structure and properties of a three-dimensional porous rare-earth carboxylate MIL-83(Eu): Eu2(O2C-C10H14-CO2)3 J. Mater. Chem. 14(4) (2004) 642-645
Space group: P 63 c m
Cell volume: 1816.8
Cell parameters: 16.466; 16.466; 7.7375; 90; 90; 120;  

COD ID: 7214750
CIF file Formula: - C24 H24 N6 O14 Zn3 -
Comments: Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks CrystEngComm 14(24) (2012) 8684
Space group: P 63 c m
Cell volume: 5377.9
Cell parameters: 18.5924; 18.5924; 17.9643; 90; 90; 120;  

COD ID: 7217215
CIF file Formula: - Mn O3 Y -
Comments: Schmidt-Grund, Rüdiger; Richter, Steffen; Ebbinghaus, Stefan G.; Lorenz, Michael; Bundesmann, Carsten; Grundmann, Marius Electronic transitions and dielectric function tensor of a YMnO3 single crystal in the NIR‒VUV spectral range RSC Advances (2014)
Space group: P 63 c m
Cell volume: 375.7
Cell parameters: 6.1545; 6.1545; 11.4533; 90; 90; 120;  

COD ID: 7222583
CIF file Formula: - Mg3 Rh -
Comments: Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.; Hoffmann, R.D. Synthesis and structure of Rh Mg3 and Ir3 Mg13 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 59 (2004) 251-255
Space group: P 63 c m
Cell volume: 446.791
Cell parameters: 7.905; 7.905; 8.256; 90; 90; 120;  

COD ID: 7237332
CIF file Formula: - Gd In O3 -
Comments: Li, Yanbin; Wang, Yazhong; Tan, Wenjie; Wang, Wenbo; Zhang, Junjie; Kim, Jae Wook; Cheong, Sang-Wook; Tao, Xutang Laser floating zone growth of improper geometric ferroelectric GdInO3 single crystals with Z6 topological defects Journal of Materials Chemistry C 6(26) (2018) 7024
Space group: P 63 c m
Cell volume: 428.01
Cell parameters: 6.3301; 6.3301; 12.334; 90; 90; 120;  

COD ID: 8100296
CIF file Formula: - As Cs3 -
Comments: Hirt, Holger; Deiseroth, Hans Jörg Crystal structure of tricaesium arsenide, Cs~3~As Zeitschrift für Kristallographie - New Crystal Structures 218(1) (2003) 6-6
Space group: P 63 c m
Cell volume: 1122.5
Cell parameters: 10.783; 10.783; 11.147; 90; 90; 120;  

COD ID: 8100987
CIF file Formula: - Al4 Cr4 H1.37 K2.63 Mg4 O14 Si4 -
Comments: Mancini, Franco; Harlow, George; Cahill, Cristopher L. Crystal structure of potassium dimagnesium disilicate hydroxide, K~1.3~ (Mg~0.95~Al~0.03~Cr~0.02~)~2~Si~2~O~6.4~(OH)~0.6~ Zeitschrift für Kristallographie - New Crystal Structures 216(2) (2001) 189-190
Space group: P 63 c m
Cell volume: 289.34
Cell parameters: 5.0279; 5.0279; 13.2161; 90; 90; 120;  

COD ID: 8102899
CIF file Formula: - Mg3 Pd -
Comments: Makongo, J. P. A.; Kudla, C.; Prots, Yu.; Niewa, R.; Burkhardt, U.; Kreiner, G. Crystal structure of trimagnesium monopalladium, Mg~3~Pd Zeitschrift für Kristallographie - New Crystal Structures 220(3) (2005) 289-292
Space group: P 63 c m
Cell volume: 465.28
Cell parameters: 7.987; 7.987; 8.422; 90; 90; 120;  

COD ID: 8104378
CIF file Formula: - Ba9 Ge23 H4 O57 -
Comments: Ozima, M. Structure of a high pressure phase Ba9 Ge23 O53 (O H)4 Zeitschrift fuer Kristallographie (149,1979-) 175 (1986) 125-130
Space group: P 63 c m
Cell volume: 2274.21
Cell parameters: 11.6784; 11.6784; 19.2545; 90; 90; 120;  

COD ID: 9001091
CIF file Formula: - H4 Mg3 O9 Si2 -
Comments: Mellini, M.; Zanazzi, P. F. Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy Sample: Lizardite-2H1 Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints American Mineralogist 72 (1987) 943-948
Space group: P 63 c m
Cell volume: 356.141
Cell parameters: 5.318; 5.318; 14.541; 90; 90; 120;  

COD ID: 9002656
CIF file Formula: - K1.54 Mg1.92 O7 Si2 -
Comments: Yang, H.; Konzett, J.; Prewitt, C. T. Crystal structure of phase X, a high pressure alkali-rich hydrous silicate and its anhydrous equivalent Sample: JKW56 American Mineralogist 86 (2001) 1483-1488
Space group: P 63 c m
Cell volume: 295.397
Cell parameters: 5.0812; 5.0812; 13.2112; 90; 90; 120;  

COD ID: 9002668
CIF file Formula: - Al0.06 Cr0.02 K6 Mg1.84 O7 Si2 -
Comments: Mancini, F.; Harlow, G. E.; Cahill, C. L. The crystal structure and cation ordering of phase-X - (K1-x-n)2(Mg1-n[Al,Cr]n)2Si2O7H2x: A potential K- and H-bearing phase in the mantle American Mineralogist 87 (2002) 302-306
Space group: P 63 c m
Cell volume: 289.348
Cell parameters: 5.028; 5.028; 13.216; 90; 90; 120;  

COD ID: 9004511
CIF file Formula: - H4 Mg3 O9 Si2 -
Comments: Guggenheim, S.; Zhan, W. Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 20 C The Canadian Mineralogist 36 (1998) 1587-1594
Space group: P 63 c m
Cell volume: 356.252
Cell parameters: 5.317; 5.317; 14.551; 90; 90; 120;  

COD ID: 9004512
CIF file Formula: - Mg3 O9 Si2 -
Comments: Guggenheim, S.; Zhan, W. Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 300 C The Canadian Mineralogist 36 (1998) 1587-1594
Space group: P 63 c m
Cell volume: 360.356
Cell parameters: 5.336; 5.336; 14.614; 90; 90; 120;  

COD ID: 9004513
CIF file Formula: - H4 Mg3 O9 Si2 -
Comments: Guggenheim, S.; Zhan, W. Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 475 C The Canadian Mineralogist 36 (1998) 1587-1594
Space group: P 63 c m
Cell volume: 362.76
Cell parameters: 5.345; 5.345; 14.662; 90; 90; 120;  

COD ID: 9006336
CIF file Formula: - Mg0.78 O3 Si1.06 -
Comments: Kudoh, Y.; Nagase, T.; Sasaki, S.; Tanaka, M.; Kanzaki, M. Phase F, a new hydrous magnesium silicate synthesized at 1000 C and 17 GPa: Crystal structure and estimated bulk modulus Note: The authors withdrew this structure, it is not Phase-F See PCM 24 (1997) 610 Physics and Chemistry of Minerals 22 (1995) 295-299
Space group: P 63 c m
Cell volume: 312.314
Cell parameters: 5.073; 5.073; 14.013; 90; 90; 120;  

COD ID: 9007905
CIF file Formula: - Mn O3 Yb -
Comments: Van Aken, B. B.; Meetsma, A.; Palstra, T. T. M. Hexagonal YbMnO3 revisited Acta Crystallographica, Section E 57 (2001) i87-i89
Space group: P 63 c m
Cell volume: 360.974
Cell parameters: 6.0584; 6.0584; 11.3561; 90; 90; 120;  

COD ID: 9007909
CIF file Formula: - Lu Mn O3 -
Comments: Van Aken, B. B.; Meetsma, A.; Palstra, T. T. M. Hexagonal LuMnO3 revisited Acta Crystallographica, Section E 57 (2001) i101-i103
Space group: P 63 c m
Cell volume: 358.702
Cell parameters: 6.038; 6.038; 11.361; 90; 90; 120;  

COD ID: 9009518
CIF file Formula: - C3 H2 O12 Pb5 -
Comments: Krivovichev, S. V.; Burns, P. C. Crystal chemistry of basic lead carbonates II. Crystal structure of synthetic `plumbonacrite' Mineralogical Magazine 64 (2000) 1069-1075
Space group: P 63 c m
Cell volume: 1784.27
Cell parameters: 9.0921; 9.0921; 24.923; 90; 90; 120;  

COD ID: 9012382
CIF file Formula: - Pd5 Sb2 -
Comments: El-Boragy M; Bhan, S.; Schubert, K. Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten Journal of the Less-Common Metals 22 (1970) 445-458
Space group: P 63 c m
Cell volume: 694.545
Cell parameters: 7.606; 7.606; 13.863; 90; 90; 120;  

COD ID: 9012383
CIF file Formula: - As2 Ni5 -
Comments: El-Boragy M; Bhan, S.; Schubert, K. Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten Journal of the Less-Common Metals 22 (1970) 445-458
Space group: P 63 c m
Cell volume: 504.774
Cell parameters: 6.825; 6.825; 12.513; 90; 90; 120;  

COD ID: 9017906
CIF file Formula: - As5.79 Fe0.15 Ni14.25 Sb0.06 -
Comments: Bindi, L.; Tredoux, M.; Zaccarini, F.; Miller, D. E.; Garuti, G. Non-stoichiometric nickel arsenides in nature: The structure of orcelite, Ni5-xAs2 (x = 0.25), from the Bon Accord oxide body, South Africa Journal of Alloys and Compounds 601 (2014) 175-178
Space group: P 63 c m
Cell volume: 499.315
Cell parameters: 6.7922; 6.7922; 12.4975; 90; 90; 120;  


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