Crystallography Open Database

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Searching space group like 'P 3 2 1'

COD ID: 1000157
CIF file Formula: - Cr F6 Mn Na -
Comments: Courbion, G; Jacoboni, C; de Pape, R La structure cristalline de Na Mn Cr F~6~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1405-1408
Space group: P 3 2 1
Cell volume: 350.4
Cell parameters: 8.993; 8.993; 5.003; 90; 90; 120;  

COD ID: 1000184
CIF file Formula: - F6 Fe Li Mn -
Comments: Courbion, G; Jacoboni, C; de Pape, R The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~ Journal of Solid State Chemistry 45 (1982) 127-134
Space group: P 3 2 1
Cell volume: 304.1
Cell parameters: 8.684; 8.684; 4.657; 90; 90; 120;  

COD ID: 1000185
CIF file Formula: - F6 Fe Li Mn -
Comments: Courbion, G; Jacoboni, C; de Pape, R The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~ Journal of Solid State Chemistry 45 (1982) 127-134
Space group: P 3 2 1
Cell volume: 312.7
Cell parameters: 8.723; 8.723; 4.745; 90; 90; 120;  

COD ID: 1000186
CIF file Formula: - F6 Fe Li Mn -
Comments: Courbion, G; Jacoboni, C; de Pape, R The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~ Journal of Solid State Chemistry 45 (1982) 127-134
Space group: P 3 2 1
Cell volume: 312.7
Cell parameters: 8.723; 8.723; 4.745; 90; 90; 120;  

COD ID: 1000417
CIF file Formula: - Al Ca F6 Na -
Comments: Hemon, A; Courbion, G The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33 Journal of Solid State Chemistry 84 (1990) 153-164
Space group: P 3 2 1
Cell volume: 349.7
Cell parameters: 8.9295; 8.9295; 5.0642; 90; 90; 120;  

COD ID: 1001011
CIF file Formula: - Br2 Ca H12 O6 -
Comments: Leclaire, A; Borel, M M Le dichlorure et le dibromure de calcium hexahydrates Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2938-2940
Space group: P 3 2 1
Cell volume: 231.8
Cell parameters: 8.164; 8.164; 4.016; 90; 90; 120;  

COD ID: 1001047
CIF file Formula: - F29 Na3 Th6 Zn -
Comments: Cousson, A; Tabuteau, A; Pages, M; Gasperin, M Fluorure complexe de thorium, sodium et zinc Acta Crystallographica B (24,1968-38,1982) 35 (1979) 2674-2676
Space group: P 3 2 1
Cell volume: 1174.7
Cell parameters: 10.116; 10.116; 13.255; 90; 90; 120;  

COD ID: 1001770
CIF file Formula: - Ca Cl2 H12 O6 -
Comments: Leclaire, A; Borel, M M Le dichlorure et le dibromure de calcium hexahydrates Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2938-2940
Space group: P 3 2 1
Cell volume: 212.4
Cell parameters: 7.876; 7.876; 3.954; 90; 90; 120;  

COD ID: 1004109
CIF file Formula: - Ni3 O9 Sr4 -
Comments: Abraham, F; Minaud, S; Renard, C Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 Journal of Materials Chemistry 4(11) (1994) 1763-1764
Space group: P 3 2 1
Cell volume: 608.6
Cell parameters: 9.477; 9.477; 7.825; 90; 90; 120;  

COD ID: 1008860
CIF file Formula: - K2 O6 S2 -
Comments: de Matos Gomes, E; Ortega, J; Extebarria, J; Zuniga, F J; Breczewski, T The crystal structure and optical activity of potassium dithionate, K2 S2 O6 Journal of Physics: Condensed Matter 8 (1996) 2063-2071
Space group: P 3 2 1
Cell volume: 521.9
Cell parameters: 9.782; 9.782; 6.298; 90; 90; 120;  

COD ID: 1010014
CIF file Formula: - O6 Rb2 S2 -
Comments: Barnes, W. H.; Wendling, A. V. The structure of rubidium dithionate Rb~2~S~2~O~6~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 153-180
Space group: P 3 2 1
Cell volume: 552.1
Cell parameters: 10.02; 10.02; 6.35; 90; 90; 120;  

COD ID: 1010278
CIF file Formula: - La2 O3 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxyden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 81.9
Cell parameters: 3.93; 3.93; 6.12; 90; 90; 120;  

COD ID: 1010279
CIF file Formula: - Ce2 O3 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 79
Cell parameters: 3.88; 3.88; 6.06; 90; 90; 120;  

COD ID: 1010280
CIF file Formula: - O3 Pr2 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 77
Cell parameters: 3.85; 3.85; 6; 90; 90; 120;  

COD ID: 1010281
CIF file Formula: - Nd2 O3 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 76.7
Cell parameters: 3.84; 3.84; 6.01; 90; 90; 120;  

COD ID: 1010414
CIF file Formula: - Al F3 -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 131.6
Cell parameters: 4.93; 4.93; 6.25; 90; 90; 120;  

COD ID: 1010415
CIF file Formula: - F3 Fe -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 156
Cell parameters: 5.2; 5.2; 6.66; 90; 90; 120;  

COD ID: 1010416
CIF file Formula: - Co F3 -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 147
Cell parameters: 5.06; 5.06; 6.63; 90; 90; 120;  

COD ID: 1010417
CIF file Formula: - F3 Rh -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 140.4
Cell parameters: 4.88; 4.88; 6.81; 90; 90; 120;  

COD ID: 1010418
CIF file Formula: - F3 Pd -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 156.4
Cell parameters: 5.05; 5.05; 7.08; 90; 90; 120;  

COD ID: 1010613
CIF file Formula: - K2 O6 S2 -
Comments: Helwig, G V The structure of potassium dithionate K~2~ S~2~ O~6~ and the measurement of the integrated reflection from a small crystal Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 83 (1932) 485-492
Space group: P 3 2 1
Cell volume: 531.1
Cell parameters: 9.82; 9.82; 6.36; 90; 90; 120;  

COD ID: 1011235
CIF file Formula: - Al K O8 S2 -
Comments: Vegard, L; Maurstad, A Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1-24
Space group: P 3 2 1
Cell volume: 152.7
Cell parameters: 4.706; 4.706; 7.96; 90; 90; 120;  

COD ID: 1011356
CIF file Formula: - Cl2 H12 O6 Sr -
Comments: Jensen, A T On the structure of Sr Cl2 (H2 O)6 Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser 17 (1940) 1-27
Space group: P 3 2 1
Cell volume: 224.3
Cell parameters: 7.94; 7.94; 4.108; 90; 90; 120;  

COD ID: 1510700
CIF file Formula: - B2 Ga2 K2 O7 -
Comments: Kennard, M.A.; Dudik, M.J.; Smith, R.W. Structure and properties of the noncentrosymmetric oxide borate K2 Ga2 O (B O3)2 Materials Research Bulletin 32 (1997) 649-656
Space group: P 3 2 1
Cell volume: 551.844
Cell parameters: 8.5656; 8.5656; 8.685; 90; 90; 120;  

COD ID: 1511950
CIF file Formula: - C39 H30 P2 S3 -
Comments: Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters 15(9) (2013) 2179
Space group: P 3 2 1
Cell volume: 4169
Cell parameters: 14.81; 14.81; 21.949; 90; 90; 120;  

COD ID: 1520821
CIF file Formula: - Al30 Ca9.91 H4 K8.62 Na21.47 O162 S10 Si30 -
Comments: Ballirano, P.; Maras, A.; Bonaccorsi, E.; Merlino, S. The crystal structure of franzinite, the ten-layer mineral of the cancrinite group Canadian Mineralogist 38 (2000) 657-668
Space group: P 3 2 1
Cell volume: 3834.75
Cell parameters: 12.916; 12.916; 26.543; 90; 90; 120;  

COD ID: 1522006
CIF file Formula: - Ga5.75 La3 Mo0.25 O14 -
Comments: Takeda, H.; Fukuda, T.; Sato, J.; Kato, T.; Morikoshi, H.; Shimamura, K. Synthesis and structure of La3 (M1/3 Ga2/3) Ga5 O14 (M = Mo(6+) and W(6+)) crystals Materials Letters 41 (1999) 104-111
Space group: P 3 2 1
Cell volume: 298.32
Cell parameters: 8.2; 8.2; 5.123; 90; 90; 120;  

COD ID: 1522007
CIF file Formula: - Ga5.744 La3 O14 W0.256 -
Comments: Takeda, H.; Shimamura, K.; Morikoshi, H.; Sato, J.; Kato, T.; Fukuda, T. Synthesis and structure of La3 (M1/3 Ga2/3) Ga5 O14 (M = Mo(6+) andW(6+)) crystals Materials Letters 41 (1999) 104-111
Space group: P 3 2 1
Cell volume: 299.078
Cell parameters: 8.208; 8.208; 5.126; 90; 90; 120;  

COD ID: 1522608
CIF file Formula: - Pt Zn1.68 -
Comments: Nowotny, H.; Stempfl, A.; Bauer, E.; Bittner, H. Ueber die Systeme: Platin-Zink und Platin-Kadmium Monatshefte fuer Chemie (-108,1977) 83 (1952) 221-236
Space group: P 3 2 1
Cell volume: 40.176
Cell parameters: 4.111; 4.111; 2.745; 90; 90; 120;  

COD ID: 1523129
CIF file Formula: - Li7 Pb2 -
Comments: Zalkin, A.; Ramsey, W.J. Intermetallic compounds between lithium and lead. I. The structures of Li3 Pb and Li7 Pb2 Journal of Physical Chemistry 60 (1956) 234-236
Space group: P 3 2 1
Cell volume: 167.897
Cell parameters: 4.751; 4.751; 8.589; 90; 90; 120;  

COD ID: 1524388
CIF file Formula: - Li -
Comments: Gaile, J.; Ruedorff, W.; Viebahn, W. Zur Struktur der Li M(II) M(III) F6 - Verbindungen. Neue Verbindungen mit M(III)=In und Ti Zeitschrift fuer Anorganische und Allgemeine Chemie 430 (1977) 161-174
Space group: P 3 2 1
Cell volume: 324.004
Cell parameters: 8.847; 8.847; 4.78; 90; 90; 120;  

COD ID: 1525958
CIF file Formula: - Mn2 Ni O9 Sr4 -
Comments: El Abed, A.; Gaudin, E.; Lemaux, S.; Darriet, J. Crystal structure and magnetic properties of Sr4 Mn2 Ni O9 Solid State Sciences 3 (2001) 887-897
Space group: P 3 2 1
Cell volume: 619.806
Cell parameters: 9.6007; 9.6007; 7.7646; 90; 90; 120;  

COD ID: 1526032
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Molchanov, V.N.; Kondakov, A.F.; Maksimov, B.A.; Chernaya, T.S.; Simonov, V.I.; Pisarevskii, Yu.V. Crystal structure and optical activity of La3 Nb0.5 Ga5.5 O14 and Sr3 Ga2 Ge4 O14 single crystals of the langasite family Journal of Experimental and Theoretical Physics Letters 74 (2001) 222-225
Space group: P 3 2 1
Cell volume: 301.225
Cell parameters: 8.235; 8.235; 5.129; 90; 90; 120;  

COD ID: 1526739
CIF file Formula: - Ga3 O14 Si2 Sr3 Ta -
Comments: Takeda, H.; Sato, J.; Fukuda, T.; Kawasaki, K.; Morikoshi, H.; Kato, T.; Shimamura, K. Synthesis and characterization of Sr3 Ta Ga3 Si2 O14 single crystals Materials Research Bulletin 35 (2000) 245-252
Space group: P 3 2 1
Cell volume: 302.445
Cell parameters: 8.293; 8.293; 5.078; 90; 90; 120;  

COD ID: 1528413
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Chernaya, T.S.; Molchanov, V.N.; Kazantsev, S.S.; Verin, I.A.; Blomberg, M.K.; Maksimov, B.A.; Simonov, V.I. Crystal structure of La3 Nb0.5 Ga5.5 O14 at 20 K Kristallografiya 51 (2006) 30-35
Space group: P 3 2 1
Cell volume: 299.672
Cell parameters: 8.2196; 8.2196; 5.1217; 90; 90; 120;  

COD ID: 1529246
CIF file

HKL data

 Formula: - Al6 B6 K4.11 O21 Rb1.89 -
Comments: Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G. Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75 Journal of Alloys and Compounds 515 (2012) 119-122
Space group: P 3 2 1
Cell volume: 544.62
Cell parameters: 8.5859; 8.5859; 8.5309; 90; 90; 120;  

COD ID: 1529247
CIF file

HKL data

 Formula: - Al6 B6 K1.071 O21 Rb4.929 -
Comments: Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G. Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75 Journal of Alloys and Compounds 515 (2012) 119-122
Space group: P 3 2 1
Cell volume: 563.54
Cell parameters: 8.6574; 8.6574; 8.682; 90; 90; 120;  

COD ID: 1529248
CIF file

HKL data

 Formula: - Al6 B6 K2.73 O21 Rb3.27 -
Comments: Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G. Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75 Journal of Alloys and Compounds 515 (2012) 119-122
Space group: P 3 2 1
Cell volume: 551.68
Cell parameters: 8.6131; 8.6131; 8.587; 90; 90; 120;  

COD ID: 1529620
CIF file Formula: - Ca3 Ga2 Ge4 O14 -
Comments: Belokoneva, E.L.; Belov, N.V. The crystal structure of the synthetic Ga, Ge-Gelenite Ca2 Ga2 Ge O7 = Ca2 Ga (Ga Ge) O7 and its comparison with the structure Ca3 Ga2 Ge4 O14 = Ca3 Ge ((Ga2 Ge) Ge2 O14) Doklady Akademii Nauk SSSR 260 (1981) 1363-1366
Space group: P 3 2 1
Cell volume: 280.95
Cell parameters: 8.076; 8.076; 4.974; 90; 90; 120;  

COD ID: 1530122
CIF file Formula: - Ga2 Ge4 O14 Sr3 -
Comments: Kaminskii, A.A.; Belokoneva, E.L.; Mill', B.V.; Pisarevskii, Yu.V.; Sarkisov, S.E.; Silvestrova, I.M.; Butashin, A.V.; Khodzhabagyan, G.G. Pure and Nd3+ -doped Ca3 Ga2 Ge4 O14 and Sr3 Ga2 Ge4 O14 single crystals, their structure optical, spectral luminescence, electromechanical properties, and stimulated emission Physica Status Solidi, Sectio A: Applied Research 86 (1984) 345-362
Space group: P 3 2 1
Cell volume: 298.519
Cell parameters: 8.27; 8.27; 5.04; 90; 90; 120;  

COD ID: 1530638
CIF file Formula: - Mn O6 Sb2 -
Comments: Reimers, J.N.; Greedan, J.E.; Subramanian, M.A. Crystal structure and magnetism in Mn Sb2 O6: Incommensurate long-range order Journal of Solid State Chemistry 79 (1989) 263-276
Space group: P 3 2 1
Cell volume: 316.758
Cell parameters: 8.802; 8.802; 4.721; 90; 90; 120;  

COD ID: 1530732
CIF file Formula: - Mn O6 Sb2 -
Comments: Scott, H.G. Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6 Journal of Solid State Chemistry 66 (1987) 171-180
Space group: P 3 2 1
Cell volume: 317.13
Cell parameters: 8.8054; 8.8054; 4.7229; 90; 90; 120;  

COD ID: 1531231
CIF file Formula: - Ba14 Ir8 O33 Pd3 -
Comments: Burley, J.C.; Battle, P.D.; Jordan, N.A.; Sloan, J.; Weill, F. Synthesis and structural characterization of Ba14 Pd3 Ir8 O33 Journal of Solid State Chemistry 174 (2003) 96-103
Space group: P 3 2 1
Cell volume: 2690.63
Cell parameters: 10.13982; 10.13982; 30.2178; 90; 90; 120;  

COD ID: 1531524
CIF file Formula: - Ca3 Ga3.32 Nb0.68 O14 Si2 -
Comments: Jung, I.H.; Yoshikawa, A.; Fukuda, T.; Auh, K.H. Growth and structure of A3 Nb Ga3 Si2 O14 (A = Sr, Ca) compounds Journal of Alloys Compd. 339 (2002) 149-155
Space group: P 3 2 1
Cell volume: 282.056
Cell parameters: 8.087; 8.087; 4.98; 90; 90; 120;  

COD ID: 1531707
CIF file Formula: - Ga3.3 Nb0.7 O14 Si2 Sr3 -
Comments: Jung, I.H.; Auh, K.H.; Fukuda, T.; Yoshikawa, A. Growth and structure of A3 Nb Ga3 Si2 O14 (A = Sr, Ca) compounds Journal of Alloys Compd. 339 (2002) 149-155
Space group: P 3 2 1
Cell volume: 301.346
Cell parameters: 8.282; 8.282; 5.073; 90; 90; 120;  

COD ID: 1532914
CIF file Formula: - Cu Mn2 O9 Sr4 -
Comments: Moore, C.A.; Battle, P.D. Crystal and magnetic structures of Sr4 M Mn2 O9 (M= Cu or Zn) Journal of Solid State Chemistry 176 (2003) 88-96
Space group: P 3 2 1
Cell volume: 622.386
Cell parameters: 9.5918; 9.5918; 7.8114; 90; 90; 120;  

COD ID: 1532917
CIF file Formula: - Mn2.05 O9 Sr4 Zn0.95 -
Comments: Moore, C.A.; Battle, P.D. Crystal and magnetic structures of Sr4 M Mn2 O9 (M = Cu or Zn) Journal of Solid State Chemistry 176 (2003) 88-96
Space group: P 3 2 1
Cell volume: 621.477
Cell parameters: 9.5894; 9.5894; 7.8039; 90; 90; 120;  

COD ID: 1532965
CIF file Formula: - Fe0.73 O9 Rh2.27 Sr4 -
Comments: Mwamuka, J.N.; Gemmill, W.R.; zur Loye, H.C.; Smith, M.D.; Stitzer, K.E. Crystal growth of new strontium iron rhodium oxides: Sr4 Fe0.73 Rh2.27 O9 and Sr Fe0.71 Rh0.29 O3 Journal of Alloys Compd. 377 (2004) 91-97
Space group: P 3 2 1
Cell volume: 635.3
Cell parameters: 9.6091; 9.6091; 7.9448; 90; 90; 120;  

COD ID: 1534263
CIF file Formula: - Ga2 Ge4 O14 Pb3 -
Comments: Bezmaternykh, L.N.; Vasil'ev, A.D.; Temerov, V.L.; Gudim, I.A. The growth and structure of Pb3 Ga2 Ge4 O14 and Ba3 Ga2 Ge4 O14 single crystals Kristallografiya 49 (2004) 325-328
Space group: P 3 2 1
Cell volume: 306.583
Cell parameters: 8.405; 8.405; 5.0112; 90; 90; 120;  

COD ID: 1534264
CIF file Formula: - Ba3 Ga2 Ge4 O14 -
Comments: Bezmaternykh, L.N.; Vasil'ev, A.D.; Gudim, I.A.; Temerov, V.L. The growth and structure of Pb3 Ga2 Ge4 O14 and Ba3 Ga2 Ge4 O14 single crystals Kristallografiya 49 (2004) 325-328
Space group: P 3 2 1
Cell volume: 329.796
Cell parameters: 8.367; 8.367; 5.4397; 90; 90; 120;  

COD ID: 1534566
CIF file Formula: - Al3 Ba N20 O Si9 Sm5 -
Comments: Lieb, A.; Schnick, W. Ba Sm5 [Si9 Al3 N20] O - a nitridoaluminosilicate oxide with a new structure type composed of star-shaped [N(4) ((Si,Al) N3)4] units as secondary building units Solid State Sciences 8 (2006) 185-191
Space group: P 3 2 1
Cell volume: 481.785
Cell parameters: 9.5294; 9.5294; 6.1262; 90; 90; 120;  

COD ID: 1536460
CIF file Formula: - Al1.9 Ga3.1 La3 O14 Sn -
Comments: Park, S.; Keszler, D.A. Cation ordering in langasite structure types Solid State Sciences 4 (2002) 799-802
Space group: P 3 2 1
Cell volume: 298.063
Cell parameters: 8.2101; 8.2101; 5.106; 90; 90; 120;  

COD ID: 1536463
CIF file Formula: - Ga5 La3 O14 Sn -
Comments: Park, S.; Keszler, D.A. Cation ordering in langasite structure types Solid State Sciences 4 (2002) 799-802
Space group: P 3 2 1
Cell volume: 303.375
Cell parameters: 8.251; 8.251; 5.1456; 90; 90; 120;  

COD ID: 1537441
CIF file Formula: - O6 Rb2 S2 -
Comments: Huggins, M.L.; Frank, G.O. The crystal structure of potassium dithionate, K2 S2 O6 American Mineralogist 16 (1931) 580-591
Space group: P 3 2 1
Cell volume: 545.596
Cell parameters: 10; 10; 6.3; 90; 90; 120;  

COD ID: 1537680
CIF file Formula: - Mn2 P -
Comments: Arstad, O.; Nowotny, H. Roentgenographische Untersuchungen im system Mn-P Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 38 (1937) 356-358
Space group: P 3 2 1
Cell volume: 110.745
Cell parameters: 6.082; 6.082; 3.457; 90; 90; 120;  

COD ID: 1538488
CIF file Formula: - F6 Ge Li2 -
Comments: Portier, J.; Grannec, J. Etude radiocristallographique de deux varietes de l'hexafluoro-germanate de lithium Li2 Ge F6 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 269 (1969) 327-330
Space group: P 3 2 1
Cell volume: 282.986
Cell parameters: 8.41; 8.41; 4.62; 90; 90; 120;  

COD ID: 1538508
CIF file Formula: - Ga5 La3 O14 Si0.5 Zr0.5 -
Comments: Pugacheva, A.A.; Maksimov, B.A.; Simonov, V.I.; Mill', B.V.; Pisarevskii, Yu.V.; Kondakov, D.F.; Chernaya, T.S.; Verin, I.A.; Molchanov, V.N. Growth and structure of La3 Zr0.5 Ga5 Si0.5 O14 crystals Kristallografiya 49 (2004) 58-64
Space group: P 3 2 1
Cell volume: 301.059
Cell parameters: 8.226; 8.226; 5.1374; 90; 90; 120;  

COD ID: 1539331
CIF file Formula: - Ge4 O9 Pb -
Comments: Shashkov, A.Yu.; Efremov, V.A.; Matsichek, I.; Rannev, N.V.; Trunov, V.K.; Venevtsev, Yu.N. The crystal structure of lead alpha-tetragermanate Zhurnal Neorganicheskoi Khimii 26 (1981) 583-587
Space group: P 3 2 1
Cell volume: 536.822
Cell parameters: 11.42; 11.42; 4.753; 90; 90; 120;  

COD ID: 1539585
CIF file Formula: - Al2 H13.72 N2 O10.86 Si2 -
Comments: Andries, K.J.; Bosmans, H.J.; Grobet, P.J. The crystal structure of zeolite Linde Q: A proposal based on powder x-ray diffraction and 27Al and 29Si MAS n.m.r. spectroscopy Zeolites 11 (1991) 124-131
Space group: P 3 2 1
Cell volume: 2119.05
Cell parameters: 13.509; 13.509; 13.408; 90; 90; 120;  

COD ID: 1541933
CIF file Formula: - C18 H72 N18 Ni3 O42 Sb6 V15 -
Comments: Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci. 7(4) (2016) 2684
Space group: P 3 2 1
Cell volume: 7303.3
Cell parameters: 23.7437; 23.7437; 14.9586; 90; 90; 120;  

COD ID: 1544912
CIF file Formula: - Bi2 Cd O6 -
Comments: Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances Journal of Asian Ceramic Societies 3 (2015) 251-254
Space group: P 3 2 1
Cell volume: 376.07
Cell parameters: 9.3641; 9.3641; 4.9523; 90; 90; 120;  

COD ID: 1546120
CIF file Formula: - C142.09 H188.18 Cl5.5 N24 O9.92 -
Comments: Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I. Chirality as a tool for function in porous organic cages. Nanoscale 9(20) (2017) 6783-6790
Space group: P 3 2 1
Cell volume: 7659.8
Cell parameters: 17.5575; 17.5575; 28.6921; 90; 90; 120;  

COD ID: 1546532
CIF file Formula: - C56 H74 N21 O11 P2 -
Comments: Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties Chem. Sci. (2017)
Space group: P 3 2 1
Cell volume: 40963
Cell parameters: 28.3369; 28.3369; 58.9056; 90; 90; 120;  

COD ID: 1558725
CIF file Formula: - Ba3 Ga3 O14 Si2 Ta -
Comments: Usui, H.; Kusakabe, H.; Tokuda, M.; Sugiyama, K.; Hoshina, T.; Tsurumi, T.; Takeda, H. Structure and electrical properties of Ba3TaGa3Si2O14 single crystals grown by Czochralski method Journal of the Ceramic Society of Japan 128 (2020) 441-446
Space group: P 3 2 1
Cell volume: 326.01
Cell parameters: 8.515; 8.515; 5.192; 90; 90; 120;  

COD ID: 1558996
CIF file Formula: - C249 H294 B5 F20 Fe3 N12 O15 P12 -
Comments: Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A. Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes. Molecules (Basel, Switzerland) 25(17) (2020) 3775
Space group: P 3 2 1
Cell volume: 6817.4
Cell parameters: 22.651; 22.651; 15.3431; 90; 90; 120;  

COD ID: 1560195
CIF file Formula: - Ca1.81 Cu3 H3 O20.5 Pb0.19 S Sb0.13 Te4.87 -
Comments: Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8 Mineralogical Magazine 83 (2019) 439-549
Space group: P 3 2 1
Cell volume: 859.8
Cell parameters: 9.1219; 9.1219; 11.932; 90; 90; 120;  

COD ID: 1563562
CIF file Formula: - B2 Fe2 K2 O7 -
Comments: Wang, Yonggang; Li, R.K. K2Fe2B2O7: A transparent nonlinear optical crystal with frustrated magnetism Journal of Solid State Chemistry 183(6) (2010) 1221-1225
Space group: P 3 2 1
Cell volume: 564.09
Cell parameters: 8.7475; 8.7475; 8.5124; 90; 90; 120;  

COD ID: 1564234
CIF file Formula: - C118 H154 Ag3 Au6 Cu3 F9 N6 O29 P6 S6 -
Comments: Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice Chemical Science (2021)
Space group: P 3 2 1
Cell volume: 8673
Cell parameters: 19.2375; 19.2375; 27.0608; 90; 90; 120;  

COD ID: 1572496
CIF file Formula: - C18.67 H24.67 Cu3 N O2.67 -
Comments: Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands Nanoscale 16(38) (2024) 17817-17824
Space group: P 3 2 1
Cell volume: 1976.3
Cell parameters: 13.067; 13.067; 13.365; 90; 90; 120;  

COD ID: 1572678
CIF file Formula: - Lu2 O6 Te -
Comments: ()
Space group: P 3 2 1
Cell volume: 350.819
Cell parameters: 8.9459; 8.9459; 5.0618; 90; 90; 120;  

COD ID: 2000203
CIF file

Original IUCr paper

 Formula: - Al3.5 N1.5 Nd3 O12.5 Si2.5 -
Comments: Käll, P.-O.; Grins, J.; Nygren, M. Structure of the Nd U-phase, Nd~3~Al~3.5~Si~2.5~O~12.5~N~1.5~; a nitrogen-containing phase of the La~3~Ga~5~GeO~14~ structure type Acta Crystallographica Section C 47(10) (1991) 2015-2019
Space group: P 3 2 1
Cell volume: 268.45
Cell parameters: 7.974; 7.974; 4.875; 90; 90; 120;  

COD ID: 2002685
CIF file Formula: - Ba4 Cu0.5 Na O8 Pt1.5 -
Comments: Tams, G; Mueller-Buschbaum, Hk Ein Beitrag zur Kristallchemie der oxidischen Alkali-Erdalkali- Edelmetall-Perowskite. Synthese und Kristallstruktur von Na Ba4 Cu0.5 Pt1.5 O8 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 49 (1994) 585-588
Space group: P 3 2 1
Cell volume: 736.1
Cell parameters: 10.0644; 10.0644; 8.3911; 90; 90; 120;  

COD ID: 2002724
CIF file Formula: - Ni7.5 O27 Sr12 -
Comments: Strunk, M; Mueller-Buschbaum, Hk Zur Kenntnis eines Strontium-Oxoniccolats(IV): Sr12 Ni7.5 O27 Journal of Alloys Compd. 209 (1994) 189-192
Space group: P 3 2 1
Cell volume: 606.5
Cell parameters: 9.474; 9.474; 7.802; 90; 90; 120;  

COD ID: 2002879
CIF file Formula: - Na Ni7 O23 Sr12 -
Comments: Strunk, M; Mueller-Buschbaum, Hk Ein weiteres AlkaliErdalkali‒Oxoniccolat mit Perowskitstruktur: Sr12 Na Ni7 O23 Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 1565-1568
Space group: P 3 2 1
Cell volume: 608
Cell parameters: 9.429; 9.429; 7.896; 90; 90; 120;  

COD ID: 2005540
CIF file

Original IUCr paper

 Formula: - Ge4 O9 Sr -
Comments: Nishi, F. Strontium Tetragermanate, SrGe~4~O~9~ Acta Crystallographica Section C 52(10) (1996) 2393-2395
Space group: P 3 2 1
Cell volume: 529.4
Cell parameters: 11.344; 11.344; 4.75; 90; 90; 120;  

COD ID: 2010444
CIF file Formula: - Br2 H12 O6 Sr -
Comments: Abrahams, Isaac; Vordemvenne, Elke Strontium Dibromide Hexahydrate Acta Crystallographica Section C 51 (1995) 183-185
Space group: P 3 2 1
Cell volume: 242.42
Cell parameters: 8.204; 8.204; 4.159; 90; 90; 120;  

COD ID: 2012967
CIF file

Original IUCr paper

 Formula: - Cu0.91 Mn2.09 O9 Sr4 -
Comments: El Abed, Ahmed; Gaudin, Etienne; Darriet, Jacques Tetrastrontium dimanganese copper nonaoxide, Sr~4~Mn~2~CuO~9~ Acta Crystallographica Section C 58(10) (2002) i138-i140
Space group: P 3 2 1
Cell volume: 622.48
Cell parameters: 9.5817; 9.5817; 7.829; 90; 90; 120;  

COD ID: 2017772
CIF file

HKL data

Original IUCr paper

 Formula: - Ga5.61 La3 O14 Ta0.41 -
Comments: Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B 66(5) (2010) 497-502
Space group: P 3 2 1
Cell volume: 300.2
Cell parameters: 8.224; 8.224; 5.126; 90; 90; 120;  

COD ID: 2017773
CIF file

HKL data

Original IUCr paper

 Formula: - Ga5.34 La3 O14 Si0.36 Ta0.29 -
Comments: Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B 66(5) (2010) 497-502
Space group: P 3 2 1
Cell volume: 297.7
Cell parameters: 8.195; 8.195; 5.118; 90; 90; 120;  

COD ID: 2017774
CIF file

HKL data

Original IUCr paper

 Formula: - Ga5.48 La3 O14 Ta0.03 Zr0.5 -
Comments: Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B 66(5) (2010) 497-502
Space group: P 3 2 1
Cell volume: 303.5
Cell parameters: 8.256; 8.256; 5.141; 90; 90; 120;  

COD ID: 2021639
CIF file

HKL data

Original IUCr paper

 Formula: - La15 O48 W8.5 -
Comments: Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I. Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure Acta Crystallographica Section C 75(6) (2019)
Space group: P 3 2 1
Cell volume: 1933.43
Cell parameters: 9.0363; 9.0363; 27.3412; 90; 90; 120;  

COD ID: 2100484
CIF file

Original IUCr paper

 Formula: - Ag14.52 Cu1.48 S11 Sb2 -
Comments: M. Evain; L. Bindi; S. Menchetti Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~ Acta Crystallographica Section B 62(3) (2006) 447-456
Space group: P 3 2 1
Cell volume: 2344.9
Cell parameters: 15.0954; 15.0954; 11.8825; 90; 90; 120;  

COD ID: 2103345
CIF file

Original IUCr paper

 Formula: - C49 H126 In4 Si12 Te4 -
Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899
Space group: P 3 2 1
Cell volume: 4122.17
Cell parameters: 16.079; 16.079; 18.411; 90; 90; 120;  

COD ID: 2103501
CIF file

Original IUCr paper

 Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 298.8
Cell parameters: 8.213; 8.213; 5.115; 90; 90; 120;  

COD ID: 2103502
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 298.5
Cell parameters: 8.202; 8.202; 5.123; 90; 90; 120;  

COD ID: 2103504
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 277.1
Cell parameters: 7.981; 7.981; 5.024; 90; 90; 120;  

COD ID: 2103505
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 277.1
Cell parameters: 7.981; 7.981; 5.024; 90; 90; 120;  

COD ID: 2103506
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 278.5
Cell parameters: 7.991; 7.991; 5.037; 90; 90; 120;  

COD ID: 2103508
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 276.3
Cell parameters: 7.972; 7.972; 5.021; 90; 90; 120;  

COD ID: 2103509
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 276.3
Cell parameters: 7.972; 7.972; 5.021; 90; 90; 120;  

COD ID: 2103510
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 275.1
Cell parameters: 7.953; 7.953; 5.023; 90; 90; 120;  

COD ID: 2103511
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 275.1
Cell parameters: 7.953; 7.953; 5.023; 90; 90; 120;  

COD ID: 2103513
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 273.9
Cell parameters: 7.944; 7.944; 5.012; 90; 90; 120;  

COD ID: 2103514
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 273.9
Cell parameters: 7.944; 7.944; 5.012; 90; 90; 120;  

COD ID: 2103515
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 268.2
Cell parameters: 7.864; 7.864; 5.007; 90; 90; 120;  

COD ID: 2103516
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 268.2
Cell parameters: 7.864; 7.864; 5.007; 90; 90; 120;  

COD ID: 2103518
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 268.3
Cell parameters: 7.872; 7.872; 4.999; 90; 90; 120;  

COD ID: 2103519
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 268.3
Cell parameters: 7.872; 7.872; 4.999; 90; 90; 120;  

COD ID: 2103521
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 262
Cell parameters: 7.783; 7.783; 4.994; 90; 90; 120;  

COD ID: 2103522
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 262
Cell parameters: 7.783; 7.783; 4.994; 90; 90; 120;  

COD ID: 2103523
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 296.9
Cell parameters: 8.188; 8.188; 5.113; 90; 90; 120;  

COD ID: 2103525
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 255.4
Cell parameters: 7.692; 7.692; 4.985; 90; 90; 120;  

COD ID: 2103526
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 255.6
Cell parameters: 7.695; 7.695; 4.985; 90; 90; 120;  

COD ID: 2103528
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 253.9
Cell parameters: 7.68; 7.68; 4.97; 90; 90; 120;  

COD ID: 2103529
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 294.5
Cell parameters: 8.167; 8.167; 5.098; 90; 90; 120;  

COD ID: 2103530
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 293.2
Cell parameters: 8.155; 8.155; 5.091; 90; 90; 120;  

COD ID: 2103531
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 293.9
Cell parameters: 8.158; 8.158; 5.099; 90; 90; 120;  

COD ID: 2103532
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 291.7
Cell parameters: 8.135; 8.135; 5.09; 90; 90; 120;  

COD ID: 2103533
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 290.7
Cell parameters: 8.126; 8.126; 5.083; 90; 90; 120;  

COD ID: 2103534
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 290.1
Cell parameters: 8.116; 8.116; 5.086; 90; 90; 120;  

COD ID: 2103535
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 290.4
Cell parameters: 8.121; 8.121; 5.084; 90; 90; 120;  

COD ID: 2103536
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 288.7
Cell parameters: 8.105; 8.105; 5.074; 90; 90; 120;  

COD ID: 2103537
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 287
Cell parameters: 8.089; 8.089; 5.064; 90; 90; 120;  

COD ID: 2103538
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 286.9
Cell parameters: 8.084; 8.084; 5.069; 90; 90; 120;  

COD ID: 2103539
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 285.8
Cell parameters: 8.072; 8.072; 5.065; 90; 90; 120;  

COD ID: 2103540
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 284.7
Cell parameters: 8.06; 8.06; 5.06; 90; 90; 120;  

COD ID: 2103541
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 285.4
Cell parameters: 8.069; 8.069; 5.062; 90; 90; 120;  

COD ID: 2103542
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 284.8
Cell parameters: 8.063; 8.063; 5.059; 90; 90; 120;  

COD ID: 2103543
CIF file Formula: - Ga5.54 La3 O14 Ta0.46 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 281.2
Cell parameters: 8.022; 8.022; 5.046; 90; 90; 120;  

COD ID: 2103544
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 281.5
Cell parameters: 8.024; 8.024; 5.049; 90; 90; 120;  

COD ID: 2103545
CIF file Formula: - Ga5.5 La3 Nb0.5 O14 -
Comments: Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B. Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~ Acta Crystallographica Section B 58(6) (2002) 939-947
Space group: P 3 2 1
Cell volume: 280.7
Cell parameters: 8.014; 8.014; 5.046; 90; 90; 120;  

COD ID: 2106046
CIF file Formula: - Ni31 Si12 -
Comments: Frank, K.; Schubert, K. Kristallstruktur von Ni31 Si12 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 916-920
Space group: P 3 2 1
Cell volume: 473.58
Cell parameters: 6.671; 6.671; 12.288; 90; 90; 120;  

COD ID: 2310825
CIF file Formula: - Br2 H Hg2 N -
Comments: Brodersen, K. Die Struktur von Hg2 N H Br2 Acta Crystallographica (1,1948-23,1967) 8 (1955) 723-726
Space group: P 3 2 1
Cell volume: 259.45
Cell parameters: 6.971; 6.971; 6.165; 90; 90; 120;  

COD ID: 3000108
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93
Space group: P 3 2 1
Cell volume: 535.14
Cell parameters: 8.555; 8.555; 8.443; 90; 90; 120;  

COD ID: 3000109
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93
Space group: P 3 2 1
Cell volume: 536.01
Cell parameters: 8.5592; 8.5592; 8.4485; 90; 90; 120;  

COD ID: 3000110
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93
Space group: P 3 2 1
Cell volume: 541.64
Cell parameters: 8.5852; 8.5852; 8.4855; 90; 90; 120;  

COD ID: 3000111
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93
Space group: P 3 2 1
Cell volume: 538.1
Cell parameters: 8.5683; 8.5683; 8.4633; 90; 90; 120;  

COD ID: 3000112
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93
Space group: P 3 2 1
Cell volume: 541.56
Cell parameters: 8.5843; 8.5843; 8.486; 90; 90; 120;  

COD ID: 3000113
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93
Space group: P 3 2 1
Cell volume: 544.6
Cell parameters: 8.5987; 8.5987; 8.5052; 90; 90; 120;  

COD ID: 3000203
CIF file Formula: - Li4 P2 S6 -
Comments: Neuberger, Sven; Culver, Sean P; Eckert, Hellmut; Zeier, Wolfgang G; Schmedt Auf der Günne, Jörn Refinement of the crystal structure of Li<sub>4</sub>P<sub>2</sub>S<sub>6</sub> using NMR crystallography. Dalton transactions (Cambridge, England : 2003) 47 (2018) 11691-11695
Space group: P 3 2 1
Cell volume: 631.092
Cell parameters: 10.51452; 10.51452; 6.59148; 90; 90; 120;  

COD ID: 4000562
CIF file Formula: - Al2 B2 K0.96 Na1.04 O7 -
Comments: Chemistry of Materials (2005)
Space group: P 3 2 1
Cell volume: 492.44
Cell parameters: 8.3887; 8.3887; 8.0804; 90; 90; 120;  

COD ID: 4002501
CIF file Formula: - Ca0.7 Co1.35 O9 Rh1.65 Sr3.3 -
Comments: Hernando, M.; Boulahya, K.; Martinez, J.L.; Parras, M.; Varela, A.; Gonzalez-Calbet, J.M. Structural and magnetic study of Sr3.3 Ca0.7 Co Rh2 O9: a new partially ordered antiferromagnetic system Chemistry of Materials (1,1989-) 14 (2002) 4948-4954
Space group: P 3 2 1
Cell volume: 633.184
Cell parameters: 9.5767; 9.5767; 7.972; 90; 90; 120;  

COD ID: 4002546
CIF file Formula: - Co Mn2 O9 Sr4 -
Comments: Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Martinez, J.L. Synthesis, structural characterization and magnetic study of Sr4 Mn2 Co O9 Chemistry of Materials (1,1989-) 15 (2003) 3537-3542
Space group: P 3 2 1
Cell volume: 622.739
Cell parameters: 9.5852; 9.5852; 7.8266; 90; 90; 120;  

COD ID: 4004012
CIF file Formula: - Ba3 Ge3 O14 Te Zn2 -
Comments: Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution Chemistry of Materials (2021)
Space group: P 3 2 1
Cell volume: 334.2
Cell parameters: 8.616; 8.616; 5.198; 90; 90; 120;  

COD ID: 4004013
CIF file Formula: - Ge3 O14 Sr3 Te Zn2 -
Comments: Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution Chemistry of Materials (2021)
Space group: P 3 2 1
Cell volume: 303.21
Cell parameters: 8.3223; 8.3223; 5.0551; 90; 90; 120;  

COD ID: 4004014
CIF file Formula: - Ge3 O14 Pb3 Te Zn2 -
Comments: Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution Chemistry of Materials (2021)
Space group: P 3 2 1
Cell volume: 322.04
Cell parameters: 8.5194; 8.5194; 5.1235; 90; 90; 120;  

COD ID: 4030184
CIF file Formula: - F6 Li Mn V -
Comments: Courbion, G.; Jacoboni, C.; Wolfers, P. Na2SiF6 and ordered trirutile-types : crystal and magnetic structure of alpha- and beta-LiMnVF6 European Journal of Solid State and Inorganic Chemistry 25 (1988) 359-374
Space group: P 3 2 1
Cell volume: 305.77
Cell parameters: 8.711; 8.711; 4.653; 90; 90; 120;  

COD ID: 4086531
CIF file Formula: - C101 H74 Br3 N9 O16 Re3 S -
Comments: Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J. Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission Organometallics 35(11) (2016) 1632
Space group: P 3 2 1
Cell volume: 8185.9
Cell parameters: 31.4303; 31.4303; 9.5684; 90; 90; 120;  

COD ID: 4115955
CIF file Formula: - C60 H48 F24 N12 Os P4 Ru -
Comments: Josef Breu; Cornelius Kratzer; Hartmut Yersin Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4 Journal of the American Chemical Society 122 (2000) 2548-2555
Space group: P 3 2 1
Cell volume: 1621.39
Cell parameters: 10.7012; 10.7012; 16.349; 90; 90; 120;  

COD ID: 4120720
CIF file Formula: - C39 H60 Cr Mn N4 P3 -
Comments: Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes Journal of the American Chemical Society 135 (2013) 13142-13148
Space group: P 3 2 1
Cell volume: 2585.1
Cell parameters: 15.9786; 15.9786; 11.6916; 90; 90; 120;  

COD ID: 4121243
CIF file Formula: - C200 H240 F24 Fe4 N24 O24 S8 -
Comments: Ana M. Castilla; Naoki Ousaka; Rana A. Bilbeisi; Elisa Valeri; Tanya K. Ronson; Jonathan R. Nitschke High-Fidelity Stereochemical Memory in a FeII4L4 Tetrahedral Capsule Journal of the American Chemical Society 135 (2013) 17999-18006
Space group: P 3 2 1
Cell volume: 12145
Cell parameters: 23.3227; 23.3227; 25.7815; 90; 90; 120;  

COD ID: 4125021
CIF file Formula: - O14 P2 Sr3 Te Zn3 -
Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society 138(14) (2016) 4984-4989
Space group: P 3 2 1
Cell volume: 307.09
Cell parameters: 8.2767; 8.2767; 5.1763; 90; 90; 120;  

COD ID: 4125022
CIF file Formula: - Ba3 O14 P2 Te Zn3 -
Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society 138(14) (2016) 4984-4989
Space group: P 3 2 1
Cell volume: 328.5
Cell parameters: 8.4744; 8.4744; 5.2818; 90; 90; 120;  

COD ID: 4125023
CIF file Formula: - O14 P2 Pb3 Te Zn3 -
Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society 138(14) (2016) 4984-4989
Space group: P 3 2 1
Cell volume: 316.05
Cell parameters: 8.3831; 8.3831; 5.193; 90; 90; 120;  

COD ID: 4125024
CIF file Formula: - Mg3 O14 P2 Pb3 Te -
Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society 138(14) (2016) 4984-4989
Space group: P 3 2 1
Cell volume: 319.27
Cell parameters: 8.4072; 8.4072; 5.2158; 90; 90; 120;  

COD ID: 4125025
CIF file Formula: - O14 P2 Pb3 W Zn3 -
Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society 138(14) (2016) 4984-4989
Space group: P 3 2 1
Cell volume: 317.06
Cell parameters: 8.4151; 8.4151; 5.17; 90; 90; 120;  

COD ID: 4125026
CIF file Formula: - O14 Pb3 Te V2 Zn3 -
Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society 138(14) (2016) 4984-4989
Space group: P 3 2 1
Cell volume: 332.8
Cell parameters: 8.608; 8.608; 5.186; 90; 90; 120;  

COD ID: 4126340
CIF file Formula: - C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18 -
Comments: Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials. Journal of the American Chemical Society (2017)
Space group: P 3 2 1
Cell volume: 13814.7
Cell parameters: 21.1963; 21.1963; 35.505; 90; 90; 120;  

COD ID: 4130982
CIF file Formula: - C112 H105 Eu F9 N9 O25 S3 -
Comments: Gil-Ramírez, Guzmán; Hoekman, Steven; Kitching, Matthew O.; Leigh, David A.; Vitorica-Yrezabal, Iñigo J; Zhang, Gen Tying a Molecular Overhand Knot of Single Handedness and Asymmetric Catalysis with the Corresponding Pseudo-D<sub>3</sub>-Symmetric Trefoil Knot. Journal of the American Chemical Society 138(40) (2016) 13159-13162
Space group: P 3 2 1
Cell volume: 5767.6
Cell parameters: 22.7774; 22.7774; 12.8368; 90; 90; 120;  

COD ID: 4133180
CIF file Formula: - C42 H99 Cl6 N6 O16.5 -
Comments: Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M. Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity. Journal of the American Chemical Society 140(44) (2018) 14571-14575
Space group: P 3 2 1
Cell volume: 3100.3
Cell parameters: 22.378; 22.378; 7.1487; 90; 90; 120;  

COD ID: 4134826
CIF file Formula: - C4 H8 B N2 O3 Zn2 -
Comments: Cao, Lei; Dai, Pengcheng; Tang, Jing; Li, Dong; Chen, Ruihua; Liu, Dandan; Gu, Xin; Li, Liangjun; Bando, Yoshio; Ok, Yong Sik; Zhao, Xuebo; Yamauchi, Yusuke Spherical Superstructure of Boron Nitride Nanosheets Derived from Boron-Containing Metal-Organic Frameworks. Journal of the American Chemical Society (2020)
Space group: P 3 2 1
Cell volume: 978.054
Cell parameters: 8.65271; 8.65271; 15.0844; 90; 90; 120;  

COD ID: 4306358
CIF file Formula: - C6 H21 Co14 K O34 -
Comments: Xian-Ming Zhang; Xu-Hui Zhang; Hai-Shun Wu; Ming-Liang Tong; Seik Weng Ng Hybrid Cobalt Hydroxyoxalate Material Containing 3D Co-O-Co Connectivity and Showing Ferrimagnetic Ordering Inorganic Chemistry 47 (2008) 7462-7464
Space group: P 3 2 1
Cell volume: 3241.19
Cell parameters: 13.7651; 13.7651; 19.7522; 90; 90; 120;  

COD ID: 4307049
CIF file Formula: - C24 H84.7 Br La3 O90.35 S28 W12 -
Comments: Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes Inorganic Chemistry 46 (2007) 2115-2123
Space group: P 3 2 1
Cell volume: 7429.8
Cell parameters: 25.4465; 25.4465; 13.2492; 90; 90; 120;  

COD ID: 4307050
CIF file Formula: - C24 H85.9 Br Ce3 O90.95 S28 W12 -
Comments: Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes Inorganic Chemistry 46 (2007) 2115-2123
Space group: P 3 2 1
Cell volume: 7346.7
Cell parameters: 25.3218; 25.3218; 13.2303; 90; 90; 120;  

COD ID: 4311299
CIF file Formula: - C18 H22.5 B0.5 F2 Fe N10 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: P 3 2 1
Cell volume: 1153.7
Cell parameters: 11.855; 11.855; 9.479; 90; 90; 120;  

COD ID: 4311300
CIF file Formula: - C18 H22.5 B0.5 F2 Fe N10 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: P 3 2 1
Cell volume: 1160.11
Cell parameters: 11.8898; 11.8898; 9.4759; 90; 90; 120;  

COD ID: 4316636
CIF file Formula: - C30 H42 Bi4 Cl12 Se6 -
Comments: William Levason; Seema Maheshwari; Raju Ratnani; Gillian Reid; Michael Webster; Wenjian Zhang Structural Diversity in Supramolecular Complexes of MCl3 (M = As, Sb, Bi) with Constrained Thio- and Seleno-Ether Ligands Inorganic Chemistry 49 (2010) 9036-9048
Space group: P 3 2 1
Cell volume: 4337.5
Cell parameters: 18.184; 18.184; 15.147; 90; 90; 120;  

COD ID: 4331706
CIF file Formula: - C144 H131 Cl4 N12 O60 Y7 -
Comments: Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Inorganic Chemistry 52 (2013) 6-8
Space group: P 3 2 1
Cell volume: 3648
Cell parameters: 16.955; 16.955; 14.653; 90; 90; 120;  

COD ID: 4331708
CIF file Formula: - C144 H131 Cl4 La7 N12 O60 -
Comments: Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Inorganic Chemistry 52 (2013) 6-8
Space group: P 3 2 1
Cell volume: 3656
Cell parameters: 16.943; 16.943; 14.707; 90; 90; 120;  

COD ID: 4331710
CIF file Formula: - C144 H131 Cl4 Gd7 N12 O60 -
Comments: Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Inorganic Chemistry 52 (2013) 6-8
Space group: P 3 2 1
Cell volume: 3720
Cell parameters: 17.061; 17.061; 14.757; 90; 90; 120;  

COD ID: 4331715
CIF file Formula: - C144 H127 Cl4 Dy7 N12 O58 -
Comments: Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Inorganic Chemistry 52 (2013) 6-8
Space group: P 3 2 1
Cell volume: 3668.7
Cell parameters: 16.9779; 16.9779; 14.6965; 90; 90; 120;  

COD ID: 4331717
CIF file Formula: - C144 H127 Cl4 Er7 N12 O58 -
Comments: Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Inorganic Chemistry 52 (2013) 6-8
Space group: P 3 2 1
Cell volume: 3648.8
Cell parameters: 16.9317; 16.9317; 14.6966; 90; 90; 120;  

COD ID: 4331719
CIF file Formula: - C144 H131 Cl4 N12 O60 Yb7 -
Comments: Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Inorganic Chemistry 52 (2013) 6-8
Space group: P 3 2 1
Cell volume: 3632
Cell parameters: 16.923; 16.923; 14.646; 90; 90; 120;  

COD ID: 4340969
CIF file Formula: - B1.68 Ge4.32 O14 Sr2.84 -
Comments: Petermüller, Benedikt; Petschnig, Lucas L.; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert Synthesis and characterization of the new strontium borogermanate Sr(3-x/2)B(2-x)Ge(4+x)O₁₄ (x = 0.32). Inorganic chemistry 53(18) (2014) 9722-9728
Space group: P 3 2 1
Cell volume: 271.39
Cell parameters: 8.007; 8.007; 4.888; 90; 90; 120;  

COD ID: 4343896
CIF file Formula: - C39 H60 Cr2 N4 P3 -
Comments: Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping. Inorganic chemistry 54(15) (2015) 7579-7592
Space group: P 3 2 1
Cell volume: 2609.7
Cell parameters: 16.067; 16.067; 11.673; 90; 90; 120;  

COD ID: 4347762
CIF file Formula: - C162 H234 N36 O54 Zn9 -
Comments: Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian Catenation of Homochiral Metal-Organic Nanocages or Nanotubes. Inorganic chemistry 55(11) (2016) 5095-5097
Space group: P 3 2 1
Cell volume: 14614.6
Cell parameters: 25.6462; 25.6462; 25.6573; 90; 90; 120;  

COD ID: 4348652
CIF file Formula: - C39 H60 Fe2 N4 P3 -
Comments: Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States. Inorganic chemistry 55(19) (2016) 9725-9735
Space group: P 3 2 1
Cell volume: 2566.8
Cell parameters: 15.8611; 15.8611; 11.7814; 90; 90; 120;  

COD ID: 5910302
CIF file Formula: - As2 Cl9 Cs3 -
Comments: Wyckoff, R. W. G. Page 475-477 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 3 (1951) 475-475
Space group: P 3 2 1
Cell volume: 422.349
Cell parameters: 7.39; 7.39; 8.93; 90; 90; 120;  

COD ID: 6000287
CIF file Formula: - Ba16 Cu3 Ir10 O39 -
Comments: Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F. Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39 Chemistry of Materials 11 (1999) 1551-1558
Space group: P 3 2 1
Cell volume: 3118.14
Cell parameters: 10.1344; 10.1344; 35.0564; 90; 90; 120;  

COD ID: 6000636
CIF file Formula: - Cu Ir2 O9 Sr4 -
Comments: Battle, P. D.; Blake, G. R.; Sloan, J.; Vente, J. F. Commensurate and incommensurate phases in the system A(4)A ' Ir2O9 (A = Sr, Ba; a ' = Cu, Zn) Journal of Solid State Chemistry 136 (1998) 103-114
Space group: P 3 2 1
Cell volume: 653.75
Cell parameters: 9.6854; 9.6854; 8.0473; 90; 90; 120;  

COD ID: 7021651
CIF file Formula: - C44 H30 N18 O8 Zn5 -
Comments: Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units. Dalton transactions (Cambridge, England : 2003) 42(30) (2013) 10786-10797
Space group: P 3 2 1
Cell volume: 5236.6
Cell parameters: 17.75; 17.75; 19.192; 90; 90; 120;  

COD ID: 7021652
CIF file Formula: - C44 H30 Co1.34 N18 O8 Zn3.66 -
Comments: Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units. Dalton transactions (Cambridge, England : 2003) 42(30) (2013) 10786-10797
Space group: P 3 2 1
Cell volume: 5230.9
Cell parameters: 17.7771; 17.7771; 19.1129; 90; 90; 120;  

COD ID: 7033985
CIF file Formula: - C120 H165 Mg4 N3 O15 -
Comments: Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5692-5702
Space group: P 3 2 1
Cell volume: 6991.1
Cell parameters: 21.817; 21.817; 16.96; 90; 90; 120;  

COD ID: 7034276
CIF file Formula: - C72 H66 Cl2 Cu4 N8 O43 -
Comments: Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12180-12188
Space group: P 3 2 1
Cell volume: 8202.96
Cell parameters: 26.9516; 26.9516; 13.0398; 90; 90; 120;  

COD ID: 7034277
CIF file Formula: - C72 H66 Cl2 Cu4 N8 O43 -
Comments: Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12180-12188
Space group: P 3 2 1
Cell volume: 8266.2
Cell parameters: 26.9979; 26.9979; 13.0953; 90; 90; 120;  

COD ID: 7044000
CIF file Formula: - C78 H113 Gd2 N14 O10 -
Comments: Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties Dalton Trans. (2017)
Space group: P 3 2 1
Cell volume: 4145.2
Cell parameters: 12.362; 12.362; 31.321; 90; 90; 120;  

COD ID: 7047340
CIF file Formula: - C18 H24 As2 K14 N6 Ni3 O96 P6 W12 -
Comments: Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols. Dalton transactions (Cambridge, England : 2003) 47(38) (2018) 13479-13486
Space group: P 3 2 1
Cell volume: 8750
Cell parameters: 22.6407; 22.6407; 19.7106; 90; 90; 120;  

COD ID: 7058152
CIF file Formula: - C52 H37 N7 O30 Zn6 -
Comments: Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions New Journal of Chemistry 43(10) (2019) 4226
Space group: P 3 2 1
Cell volume: 9191
Cell parameters: 22.848; 22.848; 20.33; 90; 90; 120;  

COD ID: 7058499
CIF file Formula: - C36 H48 N3 Ni1.5 O9 S3 -
Comments: Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand New Journal of Chemistry 43(28) (2019) 11222
Space group: P 3 2 1
Cell volume: 2114.29
Cell parameters: 14.1696; 14.1696; 12.1596; 90; 90; 120;  

COD ID: 7100151
CIF file Formula: - C80 H91.33 Cd Cl6 N6 O20.67 -
Comments: Wenbin Lin; Chuan-De Wu A chiral porous 3D metal-organic framework with an unprecdented 4-connected network topology Chemical Communications (2005)
Space group: P 3 2 1
Cell volume: 7586.1
Cell parameters: 26.209; 26.209; 12.7517; 90; 90; 120;  

COD ID: 7112281
CIF file Formula: - C13 H8 Cu N3 O5 -
Comments: Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli "Click"-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture. Chemical communications (Cambridge, England) 50(36) (2014) 4683-4685
Space group: P 3 2 1
Cell volume: 5162.1
Cell parameters: 18.1402; 18.1402; 18.114; 90; 90; 120;  

COD ID: 7115692
CIF file Formula: - C186 H102 In9 N30 O72 Ru2 -
Comments: Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules Chem.Commun. 50 (2014) 11653
Space group: P 3 2 1
Cell volume: 6043.5
Cell parameters: 15.778; 15.778; 28.032; 90; 90; 120;  

COD ID: 7126797
CIF file Formula: - C93 H78 N9 O19 Zn4 -
Comments: Tang, Haitong; Yang, Keke; Wang, Kun-Yu; Meng, Qi; Wu, Fan; Fang, Yu; Wu, Xiang; Li, Yougui; Zhang, WenCheng; Luo, Yunfei; Zhu, Chengfeng; Zhou, Hong-Cai Engineering a homochiral metal-organic framework based on an amino acid for enantioselective separation. Chemical communications (Cambridge, England) 56(63) (2020) 9016-9019
Space group: P 3 2 1
Cell volume: 5777.7
Cell parameters: 25.6587; 25.6587; 10.1334; 90; 90; 120;  

COD ID: 7208708
CIF file Formula: - C21 H23.5 Cr0.5 Fe N10 O6.5 -
Comments: Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest) CrystEngComm 14(20) (2012) 6377
Space group: P 3 2 1
Cell volume: 1265.09
Cell parameters: 12.5886; 12.5886; 9.218; 90; 90; 120;  

COD ID: 7208709
CIF file Formula: - C21 H23.5 Cr0.5 Fe N10 O6.5 -
Comments: Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest) CrystEngComm 14(20) (2012) 6377
Space group: P 3 2 1
Cell volume: 1279.62
Cell parameters: 12.6333; 12.6333; 9.258; 90; 90; 120;  

COD ID: 7222629
CIF file Formula: - Br2 H Hg2 N -
Comments: Brodersen, K.; Ruedorff, W. Ueber die Struktur des Hg2 N H Br2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 9 (1954) 164-164
Space group: P 3 2 1
Cell volume: 260.493
Cell parameters: 6.985; 6.985; 6.165; 90; 90; 120;  

COD ID: 7229761
CIF file Formula: - Al1.5 Ca3 Ga1.5 O14 Si2 Ta -
Comments: Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors RSC Advances 7(89) (2017) 56697
Space group: P 3 2 1
Cell volume: 280.18
Cell parameters: 8.0801; 8.0801; 4.9553; 90; 90; 120;  

COD ID: 7244055
CIF file Formula: - C30 H50 Cl2 Eu2 N2 O20 -
Comments: Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption CrystEngComm 24(6) (2022) 1156-1160
Space group: P 3 2 1
Cell volume: 7552.69
Cell parameters: 19.4078; 19.4078; 23.1536; 90; 90; 120;  

COD ID: 7247178
CIF file Formula: - C14 H28 Co Li N8 O14 -
Comments: Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6] CrystEngComm 25(36) (2023) 5085-5091
Space group: P 3 2 1
Cell volume: 605.91
Cell parameters: 9.9786; 9.9786; 7.0265; 90; 90; 120;  

COD ID: 7248175
CIF file Formula: - Ca3 Ga3 O14 Si2 Ta -
Comments: Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method CrystEngComm 26(11) (2024) 1550-1555
Space group: P 3 2 1
Cell volume: 284.16
Cell parameters: 8.112; 8.112; 4.9862; 90; 90; 120;  

COD ID: 8100499
CIF file Formula: - Ca3 Ga3 O14 Si2 Ta -
Comments: Wang, Zeng-Mei; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang; Shi, Xu-Zhong; Xu, Dong; Lv, Meng-Kai Crystal structure of tricalcium tantalum trigallium disilicon oxide, Ca~3~TaGa~3~Si~2~O~14~ Zeitschrift für Kristallographie - New Crystal Structures 218(4) (2003) 389-390
Space group: P 3 2 1
Cell volume: 283.81
Cell parameters: 8.1081; 8.1081; 4.985; 90; 90; 120;  

COD ID: 8101619
CIF file Formula: - Al2 B2 K2 O7 -
Comments: Hu, Zhang-Gui; Higashiyama, T.; Yoshimura, M.; Mori, Y.; Sasaki, T. Redetermination of the crystal structure of dipotassium dialuminum borate, K~2~Al~2~B~2~O~7~, a new non-linear optical material Zeitschrift für Kristallographie - New Crystal Structures 214(4) (1999) 433-434
Space group: P 3 2 1
Cell volume: 537.7
Cell parameters: 8.5657; 8.5657; 8.463; 90; 90; 120;  

COD ID: 8103923
CIF file Formula: - Be7 H28.5 K2.74 Na4 O42.25 P7 -
Comments: Harvey, G.; Baerlocher, C.; Wroblewski, T. Structure solution and Rietveld refinement of beryllophosphate-H zeolite Zeitschrift fuer Kristallographie (149,1979-) 201 (1992) 113-123
Space group: P 3 2 1
Cell volume: 1706.84
Cell parameters: 12.5815; 12.5815; 12.4508; 90; 90; 120;  

COD ID: 8104220
CIF file Formula: - Cl9 Cs3 Sb2 -
Comments: Kihara, K.; Sudo, T. The structure of alpha-type cesium antimony nonachloride, Cs3 Sb2 Cl9 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 134 (1971) 142-144
Space group: P 3 2 1
Cell volume: 471.52
Cell parameters: 7.633; 7.633; 9.345; 90; 90; 120;  

COD ID: 9000006
CIF file Formula: - K2 O6 S2 -
Comments: Huggins, M. L.; Frank, G. O. The crystal structure of potassium dithionate, K2S2O6 Note: coordinates revised according to Am Min 18 (1933) 455-457 American Mineralogist 16 (1931) 580-591
Space group: P 3 2 1
Cell volume: 531.142
Cell parameters: 9.82; 9.82; 6.36; 90; 90; 120;  

COD ID: 9000007
CIF file Formula: - O6 Rb2 S2 -
Comments: Huggins, M. L.; Frank, G. O. The crystal structure of potassium dithionate, K2S2O6 American Mineralogist 16 (1931) 580-591
Space group: P 3 2 1
Cell volume: 545.596
Cell parameters: 10; 10; 6.3; 90; 90; 120;  

COD ID: 9001705
CIF file Formula: - Ca1.11 Na1.8 O14 Si6 -
Comments: Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A. Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on a diffractometer Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints. American Mineralogist 80 (1995) 1269-1276
Space group: P 3 2 1
Cell volume: 248.542
Cell parameters: 7.903; 7.903; 4.595; 90; 90; 120;  

COD ID: 9001706
CIF file Formula: - Ca1.11 Na1.8 O14 Si6 -
Comments: Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A. Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on an image plate Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints. American Mineralogist 80 (1995) 1269-1276
Space group: P 3 2 1
Cell volume: 248.542
Cell parameters: 7.903; 7.903; 4.595; 90; 90; 120;  

COD ID: 9002373
CIF file Formula: - Al2.001 Ca3 O14 Si2.498 Ti1.501 -
Comments: Scheuermann, P.; Kutoglu, A.; Schosnig, M.; Hoffer, E. Structure and stability of the high-pressure phase, Ca3TiSi2(Al,Ti,Si)3O14 American Mineralogist 85 (2000) 784-791
Space group: P 3 2 1
Cell volume: 269.368
Cell parameters: 7.943; 7.943; 4.93; 90; 90; 120;  

COD ID: 9004474
CIF file Formula: - As2 O14 Pb3 Te Zn3 -
Comments: Lam, A. E.; Groat, L. A.; Ercit, T. S. The crystal structure of dugganite, Pb3Zn3TeAs2O14 The Canadian Mineralogist 36 (1998) 823-830
Space group: P 3 2 1
Cell volume: 322.683
Cell parameters: 8.46; 8.46; 5.206; 90; 90; 120;  

COD ID: 9004560
CIF file Formula: - Al30 H12 K15.32 Na15.4 O196 S10 Si30 -
Comments: Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S. The crystal structure of franzinite, the ten-layer mineral of the cancrinite group The Canadian Mineralogist 38 (2000) 657-668
Space group: P 3 2 1
Cell volume: 3834.75
Cell parameters: 12.916; 12.916; 26.543; 90; 90; 120;  

COD ID: 9007715
CIF file Formula: - Ca Cl2 H12 O6 -
Comments: Agron, P. A.; Busing, W. R. Calcium and strontium dichloride hexahydrates by neutron diffraction Acta Crystallographica, Section C 42 (1986) 141-143
Space group: P 3 2 1
Cell volume: 212.431
Cell parameters: 7.8759; 7.8758; 3.9545; 90; 90; 120;  

COD ID: 9007716
CIF file Formula: - Cl2 H12 O6 Sr -
Comments: Agron, P. A.; Busing, W. R. Calcium and strontium dichloride hexahydrates by neutron diffraction Acta Crystallographica, Section C 42 (1986) 141-143
Space group: P 3 2 1
Cell volume: 226.289
Cell parameters: 7.9596; 7.9596; 4.1243; 90; 90; 120;  

COD ID: 9009294
CIF file Formula: - C2 Ba Ca O6 -
Comments: Effenberger, H. Die kristallstruktur des minerals paralstonite, BaCa(CO3)2 Neues Jahrbuch fur Mineralogie, Monatshefte 1980 (1980) 353-363
Space group: P 3 2 1
Cell volume: 402.257
Cell parameters: 8.692; 8.692; 6.148; 90; 90; 120;  

COD ID: 9009936
CIF file Formula: - B Be2 H5 O5 -
Comments: Schlatti, M. Synthese und strukturtyp des berylliumborates Be2BO3(OH)*H2O Naturwissenschaften 54 (1967) 587-587
Space group: P 3 2 1
Cell volume: 90.757
Cell parameters: 4.43; 4.43; 5.34; 90; 90; 120;  

COD ID: 9010620
CIF file Formula: - Ag29.046 As4 Cu2.954 S22 -
Comments: Bindi, L.; Evain, M.; Menchetti, S. Complex twinning, polytypism and disorder phenomena in the crystal structures of antimonpearceite and arsenpolybasite Locality: St. Joachimsthal, Bohemia, Czech Republic Sample: 221 The Canadian Mineralogist 45 (2007) 321-333
Space group: P 3 2 1
Cell volume: 2330.01
Cell parameters: 14.9746; 14.9746; 11.9982; 90; 90; 120;  

COD ID: 9011058
CIF file Formula: - F6 Na2 Si -
Comments: Zalkin, A.; Forrester, J. D.; Templeton, D. H. The crystal structure of sodium fluorosilicate Acta Crystallographica 17 (1964) 1408-1412
Space group: P 3 2 1
Cell volume: 342.419
Cell parameters: 8.859; 8.859; 5.038; 90; 90; 120;  

COD ID: 9011313
CIF file Formula: - Ag29.04 Cu2.96 S22 Sb4 -
Comments: Evain, M.; Bindi, L.; Menchetti, S. Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221 Acta Crystallographica, Section B 62(3) (2006) 447-456
Space group: P 3 2 1
Cell volume: 2344.92
Cell parameters: 15.0954; 15.0954; 11.8825; 90; 90; 120;  

COD ID: 9011403
CIF file Formula: - Fe2 P -
Comments: Hendricks, S. B.; Kosting, P. R. The crystal structure of Fe2P, Fe2N, Fe3N and FeB Zeitschrift fur Kristallographie 74 (1930) 511-533
Space group: P 3 2 1
Cell volume: 102.408
Cell parameters: 5.852; 5.852; 3.453; 90; 90; 120;  

COD ID: 9012795
CIF file Formula: - Ga5 La3 O14 Si -
Comments: Belokoneva, E. L.; Stefanovich, S. Y.; Pisarevskii, Y. V.; Mosunov, A. V. Refined structures of La3Ga5SiO14 and Pb3Ga2Ge4O14 and the crystal-chemical regularities in the structure and properties of compounds of the langasite family Russian Journal of Inorganic Chemistry 45 (2000) 1642-1651
Space group: P 3 2 1
Cell volume: 295.708
Cell parameters: 8.176; 8.176; 5.108; 90; 90; 120;  

COD ID: 9012796
CIF file Formula: - Ga1.999 Ge4.001 O14 Pb3 -
Comments: Belokoneva, E. L.; Stefanovich, S. Y.; Pisarevskii, Y. V.; Mosunov, A. V. Refined structures of La3Ga5SiO14 and Pb3Ga2Ge4O14 and the crystal-chemical regularities in the structure and properties of compounds of the langasite family Russian Journal of Inorganic Chemistry 45 (2000) 1642-1651
Space group: P 3 2 1
Cell volume: 307.631
Cell parameters: 8.417; 8.417; 5.014; 90; 90; 120;  

COD ID: 9013662
CIF file Formula: - As2 O14 Pb3 Sb0.57 Te0.43 Zn3 -
Comments: Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Groat, L. A.; Poirier, G. Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite, from the Black Pine mine, Montana American Mineralogist 94 (2009) 1012-1017
Space group: P 3 2 1
Cell volume: 325.939
Cell parameters: 8.4803; 8.4803; 5.2334; 90; 90; 120;  

COD ID: 9014685
CIF file Formula: - Al7 Ca2 H33 O39 P4 -
Comments: Mills, S. J.; Kampf, A. R.; Sejkora, J.; Adams, P. M.; Birch, W. D.; Plasil, J. Iangreyite: a new secondary phosphate mineral closely related to perhamite Mineralogical Magazine 75 (2011) 327-336
Space group: P 3 2 1
Cell volume: 706.537
Cell parameters: 6.988; 6.988; 16.707; 90; 90; 120;  

COD ID: 9016063
CIF file Formula: - As0.66 O14 P1.34 Pb3 Te Zn3 -
Comments: Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist 95 (2010) 933-938
Space group: P 3 2 1
Cell volume: 316.383
Cell parameters: 8.3942; 8.3942; 5.1847; 90; 90; 120;  

COD ID: 9016211
CIF file Formula: - As0.404 O14 P1.594 Pb3 Te Zn3 -
Comments: Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist 95 (2010) 933-938
Space group: P 3 2 1
Cell volume: 317.394
Cell parameters: 8.392; 8.392; 5.204; 90; 90; 120;  


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