Crystallography Open Database

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Searching space group like 'P 3 1 m'

COD ID: 1001006
CIF file Formula: - B2 K3 O12 Ta3 -
Comments: Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1841-1845
Space group: P 3 1 m
Cell volume: 259.9
Cell parameters: 8.775; 8.775; 3.897; 90; 90; 120;  

COD ID: 1001007
CIF file Formula: - B2 K3 Nb3 O12 -
Comments: Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1841-1845
Space group: P 3 1 m
Cell volume: 263.1
Cell parameters: 8.753; 8.753; 3.966; 90; 90; 120;  

COD ID: 1001008
CIF file Formula: - B2 K3 Nb3 O12 -
Comments: Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1841-1845
Space group: P 3 1 m
Cell volume: 3972.8
Cell parameters: 34.01; 34.01; 3.966; 90; 90; 120;  

COD ID: 1001328
CIF file Formula: - O8 Pb Re2 -
Comments: Picard, J-P; Baud, G; Besse, J-P; Chevalier, R; Gasperin, M Structure cristalline du perrhenate de plomb Pb (Re O~4~)~2~ Journal of the Less-Common Metals 96 (1984) 171-176
Space group: P 3 1 m
Cell volume: 505.8
Cell parameters: 11.276; 11.276; 4.593; 90; 90; 120;  

COD ID: 1509925
CIF file Formula: - Ag5 O6 Pb2 -
Comments: Evers, L.; Bystroem, A. The Crystal Structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 613-627
Space group: P 3 1 m
Cell volume: 196.351
Cell parameters: 5.939; 5.939; 6.428; 90; 90; 120;  

COD ID: 1510073
CIF file Formula: - Au Cd -
Comments: Schubert, K.; Alasafi, K.M. Kristallstruktur von Au Cd.r Journal of the Less-Common Metals 55 (1977) 1-8
Space group: P 3 1 m
Cell volume: 329.79
Cell parameters: 8.1047; 8.1047; 5.7974; 90; 90; 120;  

COD ID: 1510578
CIF file Formula: - Au6 Cs4 S5 -
Comments: Weithaler, C.; Klepp, K.O. Preparation and crystal structures of the new gold rich thioauratesRb4 Au6 S5 and Cs4 Au6 S5 Journal of Alloys Compd. 243 (1996) 12-18
Space group: P 3 1 m
Cell volume: 480.663
Cell parameters: 10.243; 10.243; 5.29; 90; 90; 120;  

COD ID: 1529545
CIF file Formula: - Ca3 Cl2 H4 O6 -
Comments: Aleksandrova, M.M.; Dmitriev, G.A.; Avojan, R.L. The probable model of the crystal structure of the twobase calcium hypochlorite Armyanskii Khimicheskii Zhurnal 21 (1968) 380-386
Space group: P 3 1 m
Cell volume: 223.787
Cell parameters: 6.31; 6.31; 6.49; 90; 90; 120;  

COD ID: 1529707
CIF file Formula: - D6 La Ni5 -
Comments: Burnasheva, V.V.; Solov'ev, S.P.; Fadeeva, N.V.; Yartys', V.A.; Semenenko, K.N. The crystal structure of the deuteride La Ni5 D6 Doklady Akademii Nauk SSSR 238 (1978) 844-847
Space group: P 3 1 m
Cell volume: 109.288
Cell parameters: 5.43; 5.43; 4.28; 90; 90; 120;  

COD ID: 1529939
CIF file Formula: - D6 La Ni5 -
Comments: Fischer, P.; Schlapbach, L.; Busch, G.; Furrer, A. Neutron scattering investigations of the La Ni5 hydrogen storage system Helvetica Physica Acta 50 (1977) 421-430
Space group: P 3 1 m
Cell volume: 108.814
Cell parameters: 5.41; 5.41; 4.293; 90; 90; 120;  

COD ID: 1531553
CIF file Formula: - Fe9.24 H6 Mg2.76 O30 P6 -
Comments: Kolitsch, U.; Andrut, M.; Giester, G. Satterlyite, (Fe, Mg)12 (P O3 O H) (P O4)5 (O H, O)6: crystal structure and infrared absorption spectra European Journal of Mineralogy (1,1989-) 14 (2002) 127-133
Space group: P 3 1 m
Cell volume: 562.709
Cell parameters: 11.355; 11.355; 5.0394; 90; 90; 120;  

COD ID: 1536107
CIF file Formula: - D5.5 La Ni5 -
Comments: Noreus, D.; Olsson, L.G.; Werner, P.E. The structure and dynamics of hydrogen in La Ni5 H6 studied by elastic and inelastic neutron scattering Journal of Physics F 13 (1983) 715-727
Space group: P 3 1 m
Cell volume: 105.019
Cell parameters: 5.336; 5.336; 4.259; 90; 90; 120;  

COD ID: 1537459
CIF file Formula: - Al1.27 Fe0.1 H4.4 Mg2 O9 Si1.4 -
Comments: Jahanbagloo, I.C.; Zoltai, T. The crystal structure of a hexagonal Al-serpentine American Mineralogist 53 (1968) 14-24
Space group: P 3 1 m
Cell volume: 1553.73
Cell parameters: 5.295; 5.295; 63.99; 90; 90; 120;  

COD ID: 1537661
CIF file Formula: - H5.6 La Ni5 -
Comments: Andresen, A. Lanthanum nickel hydride Hydrides for Energy Storage, Norway 1977 (1977) 61-61
Space group: P 3 1 m
Cell volume: 108.814
Cell parameters: 5.41; 5.41; 4.293; 90; 90; 120;  

COD ID: 1538071
CIF file Formula: - D6 La Ni5 -
Comments: Furrer, A.; Fischer, P.; Haelg, W.; Schlapbach, L. Localization and diffusion of hydrogen in lanthanum-nickel compounds Hydrides for Energy Storage, Norway 1977 (1978) 73-82
Space group: P 3 1 m
Cell volume: 108.855
Cell parameters: 5.411; 5.411; 4.293; 90; 90; 120;  

COD ID: 1551910
CIF file Formula: - C10 H8 Cu O5 -
Comments: Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris Hydrolytic stability in hemilabile metal-organic frameworks Nature Chemistry 10 (2018) 1096-1102
Space group: P 3 1 m
Cell volume: 4916.9
Cell parameters: 33.028; 33.028; 5.2047; 90; 90; 120;  

COD ID: 1557132
CIF file Formula: - In8 Ir1.5 S5.25 -
Comments: Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G. Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide Chemical Science 11(3) (2020) 870-878
Space group: P 3 1 m
Cell volume: 1384.9
Cell parameters: 13.9378; 13.9378; 8.2316; 90; 90; 120;  

COD ID: 1558459
CIF file Formula: - K3 O14 V5 -
Comments: Evans, Jr., Howard T.; Brusewitz, Ann Marie Crystal Structure of Potassium Pentavanadate K3V5O14 Acta Chemica Scandinavica 48 (1994) 533-536
Space group: P 3 1 m
Cell volume: 327.17
Cell parameters: 8.6899; 8.6899; 5.0028; 90; 90; 120;  

COD ID: 1563377
CIF file Formula: - O14 Rb3 V5 -
Comments: Pan, Jianguo; Li, Yuebao; Cui, Yuejie; Zhao, Lingyan; Li, Xing; Han, Lei Synthesis, crystal structure and nonlinear optical property of Rb3V5O14 Journal of Solid State Chemistry 183(12) (2010) 2759-2762
Space group: P 3 1 m
Cell volume: 347.21
Cell parameters: 8.7134; 8.7134; 5.2807; 90; 90; 120;  

COD ID: 1570282
CIF file Formula: - Cl F6 Na21 O28 S7 -
Comments: Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V. Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability Symmetry 15(10) (2023) 1871
Space group: P 3 1 m
Cell volume: 2483.04
Cell parameters: 12.1859; 12.1859; 19.308; 90; 90; 120;  

COD ID: 1570284
CIF file Formula: - Cl F4 Na15 O20 S5 -
Comments: Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V. Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability Symmetry 15(10) (2023) 1871
Space group: P 3 1 m
Cell volume: 1794.69
Cell parameters: 12.1903; 12.1903; 13.9454; 90; 90; 120;  

COD ID: 2310676
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 3 1 m
Cell volume: 184.933
Cell parameters: 5.49; 5.49; 7.085; 90; 90; 120;  

COD ID: 2311063
CIF file Formula: - C H18 Al N3 O14 S2 -
Comments: Lingafelter, E.C.; Orioli, P.L.; Schein, B.J.B.; Stewart, J.M. Parameter interactions and the ferroelectric mechanism in guanidinium aluminium sulfate hexahydrate Acta Crystallographica (1,1948-23,1967) 20 (1966) 451-455
Space group: P 3 1 m
Cell volume: 1068.92
Cell parameters: 11.75; 11.75; 8.94; 90; 90; 120;  

COD ID: 3000456
CIF file Formula: - C8 H6 Mg3 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3 1 m
Cell volume: 859.009
Cell parameters: 5.05492; 5.05492; 38.818501; 90; 90; 120;  

COD ID: 4003586
CIF file Formula: - C6 H21 I9 N6 Pb3 -
Comments: Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Robot-Accelerated Perovskite Investigation and Discovery Chemistry of Materials (2020)
Space group: P 3 1 m
Cell volume: 1641.25
Cell parameters: 15.2648; 15.2648; 8.1332; 90; 90; 120;  

COD ID: 4003948
CIF file Formula: - B6 K5 La3 Mg2 O18 -
Comments: Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material Chemistry of Materials (2021)
Space group: P 3 1 m
Cell volume: 472.59
Cell parameters: 9.0834; 9.0834; 6.6139; 90; 90; 120;  

COD ID: 4112388
CIF file Formula: - Ag3 Li17 Sn6 -
Comments: Corina Lupu; Craig Downie; Arnold M. Guloy; Thomas A. Albright; Jiang-Gao Mao Li17Ag3Sn6: A Polar Intermetallic π-System with Carbonate-like [AgSn3]11- Anions and Trefoil Aromatic [Ag2Sn3]6- Layers Journal of the American Chemical Society 126 (2004) 4386-4397
Space group: P 3 1 m
Cell volume: 479.1
Cell parameters: 8.063; 8.063; 8.51; 90; 90; 120;  

COD ID: 4307418
CIF file Formula: - C15 H12 Co2 N6 O8 -
Comments: Antonio Rodríguez-Diéguez; Joan Cano; Raikko Kivekäs; Abderrahmane Debdoubi; Enrique Colacio Self-Assembled Cationic Heterochiral Honeycomb-Layered Metal Complexes with the in Situ Generated Pyrimidine-2-carboxylato Bisdidentate Ligand. Hydrothermal Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Study of [M2(μ-pymca)3]OH.H2O (M = FeII, CoII) Inorganic Chemistry 46 (2007) 2503-2510
Space group: P 3 1 m
Cell volume: 479.8
Cell parameters: 9.548; 9.548; 6.077; 90; 90; 120;  

COD ID: 4307419
CIF file Formula: - C15 H12 Fe2 N6 O8 -
Comments: Antonio Rodríguez-Diéguez; Joan Cano; Raikko Kivekäs; Abderrahmane Debdoubi; Enrique Colacio Self-Assembled Cationic Heterochiral Honeycomb-Layered Metal Complexes with the in Situ Generated Pyrimidine-2-carboxylato Bisdidentate Ligand. Hydrothermal Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Study of [M2(μ-pymca)3]OH.H2O (M = FeII, CoII) Inorganic Chemistry 46 (2007) 2503-2510
Space group: P 3 1 m
Cell volume: 492.78
Cell parameters: 9.6956; 9.6956; 6.053; 90; 90; 120;  

COD ID: 4311318
CIF file Formula: - Al40 Ba21 -
Comments: Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme Inorganic Chemistry 43 (2004) 4751-4760
Space group: P 3 1 m
Cell volume: 1664.1
Cell parameters: 10.5681; 10.5681; 17.205; 90; 90; 120;  

COD ID: 4312179
CIF file Formula: - C H18 N3 O14 S2 V -
Comments: Philip L.W. Tregenna-Piggott; David Spichiger; Graham Carver; Beatrice Frey; Roland Meier; Høgni Weihe; John A. Cowan; Garry J. McIntyre; Gernot Zahn; Anne-Laure Barra Structure and Bonding of the Vanadium(III) Hexa-Aqua Cation. 1. Experimental Characterization and Ligand-Field Analysis Inorganic Chemistry 43 (2004) 8049-8060
Space group: P 3 1 m
Cell volume: 1091.16
Cell parameters: 11.8116; 11.8116; 9.0311; 90; 90; 120;  

COD ID: 4316136
CIF file Formula: - K3 O14 V5 -
Comments: Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties Inorganic Chemistry 49 (2010) 6986-6993
Space group: P 3 1 m
Cell volume: 323.81
Cell parameters: 8.697; 8.697; 4.9434; 90; 90; 120;  

COD ID: 4316137
CIF file Formula: - O14 Rb3 V5 -
Comments: Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties Inorganic Chemistry 49 (2010) 6986-6993
Space group: P 3 1 m
Cell volume: 346.65
Cell parameters: 8.7092; 8.7092; 5.2772; 90; 90; 120;  

COD ID: 4316138
CIF file Formula: - O14 Tl3 V5 -
Comments: Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties Inorganic Chemistry 49 (2010) 6986-6993
Space group: P 3 1 m
Cell volume: 336.34
Cell parameters: 8.7397; 8.7397; 5.0846; 90; 90; 120;  

COD ID: 4333661
CIF file Formula: - Au6.05 Zn12.51 -
Comments: Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry 52 (2013) 1328-1337
Space group: P 3 1 m
Cell volume: 3539.1
Cell parameters: 22.641; 22.641; 7.972; 90; 90; 120;  

COD ID: 4337286
CIF file Formula: - Ge17 Li18 Na2 -
Comments: Scherf, Lavinia M.; Zeilinger, Michael; Fässler, Thomas F Li18Na2Ge17-A Compound Demonstrating Cation Effects on Cluster Shapes and Crystal Packing in Ternary Zintl Phases. Inorganic chemistry 53(4) (2014) 2096-2101
Space group: P 3 1 m
Cell volume: 2043.43
Cell parameters: 17.0905; 17.0905; 8.0783; 90; 90; 120;  

COD ID: 4344385
CIF file Formula: - C8 H24 Mo3 N2 Se13 -
Comments: Liao, J.-H.; Li, J.; Kanatzidis, M.G. Anion-anion interactions involving the (Mo3 Se13)2cluster. Synthesis and characterization of (Me4 N)2 Mo3 Se13, K2 Mo3 Se12.5 O0.5, and K6 Mo6 Se27 (H2 O)6 Inorganic Chemistry 34 (1995) 2658-2670
Space group: P 3 1 m
Cell volume: 709.315
Cell parameters: 11.578; 11.578; 6.11; 90; 90; 120;  

COD ID: 5910284
CIF file Formula: - K3 O14 V5 -
Comments: Wyckoff, R. W. G. Page 493 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) 493-493
Space group: P 3 1 m
Cell volume: 325.651
Cell parameters: 8.6796; 8.6796; 4.9914; 90; 90; 120;  

COD ID: 7047502
CIF file Formula: - Ge O6 Pb Te -
Comments: Jia, Zhen; Jiang, Xingxing; Lin, Zheshuai; Xia, Mingjun PbTeGeO<sub>6</sub>: polar rosiaite-type germanate featuring a two dimensional layered structure. Dalton transactions (Cambridge, England : 2003) 47(46) (2018) 16388-16392
Space group: P 3 1 m
Cell volume: 125.1
Cell parameters: 5.131; 5.131; 5.486; 90; 90; 120;  

COD ID: 7127991
CIF file Formula: - Ba3 Bi6 F11 Li O21 Se7 -
Comments: Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning Unexpected aliovalent cation substitution between two NLO materials LiBa<sub>3</sub>Bi<sub>6</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>11</sub> and Ba<sub>3</sub>Bi<sub>6.5</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>10.5</sub>O<sub>0.5</sub>. Chemical communications (Cambridge, England) 57(24) (2021) 2982-2985
Space group: P 3 1 m
Cell volume: 733.6
Cell parameters: 9.34; 9.34; 9.71; 90; 90; 120;  

COD ID: 7127992
CIF file Formula: - Ba3 Bi6.5 F10.5 O21.5 Se7 -
Comments: Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning Unexpected aliovalent cation substitution between two NLO materials LiBa<sub>3</sub>Bi<sub>6</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>11</sub> and Ba<sub>3</sub>Bi<sub>6.5</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>10.5</sub>O<sub>0.5</sub>. Chemical communications (Cambridge, England) 57(24) (2021) 2982-2985
Space group: P 3 1 m
Cell volume: 744.4
Cell parameters: 9.479; 9.479; 9.566; 90; 90; 120;  

COD ID: 7221471
CIF file Formula: - C8 N6 Pb -
Comments: Deflon, V.M.; de Sousa Lopes, C.C.; Bessler, K.E.; Niquet, E.; Romualdo, L.L. Preparation, characterization and crystal structure of lead(II) tricyanomethanide Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 61 (2006) 33-36
Space group: P 3 1 m
Cell volume: 708.63
Cell parameters: 14.144; 14.144; 4.0902; 90; 90; 120;  

COD ID: 7222742
CIF file Formula: - As5 Cs3 O9 -
Comments: Emmerling, F.; Roehr, C. Die neuen Oxoarsenate(III) A As O2 (A = Na, K, Rb) und Cs3 As5 O9. Darstellung, Kristallstrukturen und Raman- Spektren Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 58 (2003) 620-626
Space group: P 3 1 m
Cell volume: 373.08
Cell parameters: 8.455; 8.455; 6.0262; 90; 90; 120;  

COD ID: 7227823
CIF file Formula: - C8 H2 Cl2 K N2 O3 -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ) CrystEngComm 19(13) (2017) 1801
Space group: P 3 1 m
Cell volume: 792.5
Cell parameters: 16.044; 16.044; 3.555; 90; 90; 120;  

COD ID: 7232021
CIF file Formula: - C190 H62.67 Cl1.33 N2 P2 Sc6 -
Comments: Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration. Physical chemistry chemical physics : PCCP 21(4) (2019) 1645-1649
Space group: P 3 1 m
Cell volume: 8663.5
Cell parameters: 21.2827; 21.2827; 22.0855; 90; 90; 120;  

COD ID: 7232022
CIF file Formula: - C150 H62.67 Cl1.33 P2 -
Comments: Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration. Physical chemistry chemical physics : PCCP 21(4) (2019) 1645-1649
Space group: P 3 1 m
Cell volume: 6779.7
Cell parameters: 19.7234; 19.7234; 20.1242; 90; 90; 120;  

COD ID: 7708872
CIF file Formula: - I K O14 Rb U3 -
Comments: Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wilden, Andreas; Henkes, Maximilian; Schneider, Dimitri; Alekseev, Evgeny V. Incorporation of iodine into uranium oxyhydroxide phases. Dalton transactions (Cambridge, England : 2003) (2021)
Space group: P 3 1 m
Cell volume: 329.61
Cell parameters: 7.1406; 7.1406; 7.4646; 90; 90; 120;  

COD ID: 9000848
CIF file Formula: - H4 Mg3 O9 Si2 -
Comments: Mellini, M. The crystal structure of lizardite 1T: hydrogen bonds and polytypism American Mineralogist 67 (1982) 587-598
Space group: P 3 1 m
Cell volume: 178.086
Cell parameters: 5.332; 5.332; 7.233; 90; 90; 120;  

COD ID: 9001092
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-1T Note: U(1,2) for Mg/O3 altered to match symmetry constraints. Note: Thermal ellipsoid for O1 is non-positive definite American Mineralogist 72 (1987) 943-948
Space group: P 3 1 m
Cell volume: 178.257
Cell parameters: 5.325; 5.325; 7.259; 90; 90; 120;  

COD ID: 9001363
CIF file Formula: - Mn13 O24 Sb Si2 -
Comments: Moore, P. B.; Sen Gupta, P. K.; Le Page, Y. The remarkable langbanite structure type: Crystal structure, chemical crystallography and relation to some other cation close-packed structures American Mineralogist 76 (1991) 1408-1425
Space group: P 3 1 m
Cell volume: 1285.27
Cell parameters: 11.563; 11.563; 11.1; 90; 90; 120;  

COD ID: 9001638
CIF file Formula: - H4 Mg3 O9 Si2 -
Comments: Mellini, M.; Viti, C. Crystal structure of lizardite-1T from Elba, Italy Sample: MFN3-1 Note: U(1,2) for Mg and O2 have been changed to match symmetry constraints. American Mineralogist 79 (1994) 1194-1198
Space group: P 3 1 m
Cell volume: 178.838
Cell parameters: 5.33; 5.33; 7.269; 90; 90; 120;  

COD ID: 9001639
CIF file Formula: - H4 Mg3 O9 Si2 -
Comments: Mellini, M.; Viti, C. Crystal structure of lizardite-1T from Elba, Italy Sample: MFN3-6 Note: U(1,2) for Si, O2 and O4 have been changed to match symmetry constraints. American Mineralogist 79 (1994) 1194-1198
Space group: P 3 1 m
Cell volume: 179.079
Cell parameters: 5.338; 5.338; 7.257; 90; 90; 120;  

COD ID: 9001778
CIF file Formula: - H6 Mg3 O9 Si2 -
Comments: Gregorkiewitz, M.; Lebech, B.; Mellini, M.; Viti, C. Hydrogen positions and thermal expansion in lizardite-1T from Elba: A low-temperature study using Rietveld refinement of neutron diffraction data T = 8 K American Mineralogist 81 (1996) 1111-1116
Space group: P 3 1 m
Cell volume: 178.246
Cell parameters: 5.3267; 5.3267; 7.2539; 90; 90; 120;  

COD ID: 9004508
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 3 1 m
Cell volume: 179.036
Cell parameters: 5.326; 5.326; 7.288; 90; 90; 120;  

COD ID: 9004509
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 = 360 C The Canadian Mineralogist 36 (1998) 1587-1594
Space group: P 3 1 m
Cell volume: 180.394
Cell parameters: 5.333; 5.333; 7.324; 90; 90; 120;  

COD ID: 9004510
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 = 480 C The Canadian Mineralogist 36 (1998) 1587-1594
Space group: P 3 1 m
Cell volume: 180.523
Cell parameters: 5.332; 5.332; 7.332; 90; 90; 120;  

COD ID: 9004993
CIF file Formula: - Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -
Comments: Mellini, M.; Zanazzi, P. F. Effects of pressure on the structure of lizardite-1T Sample: at P = 7 kbar European Journal of Mineralogy 1 (1989) 13-19
Space group: P 3 1 m
Cell volume: 176.672
Cell parameters: 5.313; 5.313; 7.227; 90; 90; 120;  

COD ID: 9004994
CIF file Formula: - Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -
Comments: Mellini, M.; Zanazzi, P. F. Effects of pressure on the structure of lizardite-1T Sample: at P = 12.5 kbar European Journal of Mineralogy 1 (1989) 13-19
Space group: P 3 1 m
Cell volume: 174.987
Cell parameters: 5.316; 5.316; 7.15; 90; 90; 120;  

COD ID: 9005538
CIF file Formula: - Fe1.544 H Mg0.456 O5 P -
Comments: Kolitsch, U.; Andrut, M.; Giester, G. Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure and infrared absorption spectra Note: z-coordinate of O6 altered by author, August 2003. European Journal of Mineralogy 14 (2002) 127-133
Space group: P 3 1 m
Cell volume: 562.709
Cell parameters: 11.355; 11.355; 5.0394; 90; 90; 120;  

COD ID: 9005752
CIF file Formula: - Fe3.63 H4 O9 Si1.37 -
Comments: Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: HER Note: 1T polytype European Journal of Mineralogy 18 (2006) 197-205
Space group: P 3 1 m
Cell volume: 185.334
Cell parameters: 5.494; 5.494; 7.09; 90; 90; 120;  

COD ID: 9005753
CIF file Formula: - Fe3.578 H4 O9 Si1.422 -
Comments: Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LOS Note: 1T polytype European Journal of Mineralogy 18 (2006) 197-205
Space group: P 3 1 m
Cell volume: 185.401
Cell parameters: 5.495; 5.495; 7.09; 90; 90; 120;  

COD ID: 9005754
CIF file Formula: - Fe3.44 H4 O9 Si1.56 -
Comments: Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: ROZ Note: 1T polytype European Journal of Mineralogy 18 (2006) 197-205
Space group: P 3 1 m
Cell volume: 186.225
Cell parameters: 5.501; 5.501; 7.106; 90; 90; 120;  

COD ID: 9005755
CIF file Formula: - Fe3.52 H4 O9 Si1.48 -
Comments: Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LIT Note: 1T polytype European Journal of Mineralogy 18 (2006) 197-205
Space group: P 3 1 m
Cell volume: 184.959
Cell parameters: 5.49; 5.49; 7.086; 90; 90; 120;  

COD ID: 9009453
CIF file Formula: - Cl F4 Na15 O20 S5 -
Comments: Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Zanzari, A. R. The crystal structure of galeite, Na15(SO4)5F4Cl Mineralogical Magazine 40 (1975) 357-361
Space group: P 3 1 m
Cell volume: 1797.9
Cell parameters: 12.197; 12.197; 13.955; 90; 90; 120;  

COD ID: 9009832
CIF file Formula: - C0.24 H6.76 Mg12 O29.76 P5.76 -
Comments: Romming, C.; Raade, G. The crystal structure of natural and synthetic holtedahlite Mineralogy and Petrology 40 (1989) 91-100
Space group: P 3 1 m
Cell volume: 540.962
Cell parameters: 11.203; 11.203; 4.977; 90; 90; 120;  

COD ID: 9009833
CIF file Formula: - H7 Mg12 O30 P6 -
Comments: Romming, C.; Raade, G. The crystal structure of natural and synthetic holtedahlite Mineralogy and Petrology 40 (1989) 91-100
Space group: P 3 1 m
Cell volume: 539.322
Cell parameters: 11.186; 11.186; 4.977; 90; 90; 120;  

COD ID: 9009984
CIF file Formula: - Ni Ti0.876 -
Comments: Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T. Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy Materials Science Forum 495 (2005) 255-260
Space group: P 3 1 m
Cell volume: 81.878
Cell parameters: 4.2579; 4.2579; 5.2149; 90; 90; 120;  

COD ID: 9010983
CIF file Formula: - C2 H2 O8 Pb3 -
Comments: Cowley, J. M. Electron-diffraction study of the structure of basic lead carbonate, 2PbCO3*Pb(OH)2 Acta Crystallographica 9 (1956) 391-396
Space group: P 3 1 m
Cell volume: 587.885
Cell parameters: 9.06; 9.06; 8.27; 90; 90; 120;  

COD ID: 9011793
CIF file Formula: - Cl F6 Na21 O28 S7 -
Comments: Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Zanzari, A. R.; Sabelli, C. The crystal structure of schairerite and its relationship to sulphohalite Mineralogical Magazine 40 (1975) 131-139
Space group: P 3 1 m
Cell volume: 2481.25
Cell parameters: 12.197; 12.197; 19.259; 90; 90; 120;  

COD ID: 9014664
CIF file Formula: - Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -
Comments: Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 4, polytype 1T The Canadian Mineralogist 49 (2011) 1045-1054
Space group: P 3 1 m
Cell volume: 178.438
Cell parameters: 5.3244; 5.3244; 7.268; 90; 90; 120;  

COD ID: 9015163
CIF file Formula: - Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -
Comments: Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T The Canadian Mineralogist 49 (2011) 1045-1054
Space group: P 3 1 m
Cell volume: 178.651
Cell parameters: 5.3259; 5.3259; 7.2726; 90; 90; 120;  

COD ID: 9015486
CIF file Formula: - Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -
Comments: Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: sample Sassomorello, polytype 1T The Canadian Mineralogist 49 (2011) 1045-1054
Space group: P 3 1 m
Cell volume: 178.393
Cell parameters: 5.323; 5.323; 7.27; 90; 90; 120;  

COD ID: 9015580
CIF file Formula: - Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -
Comments: Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 3, polytype 1T The Canadian Mineralogist 49 (2011) 1045-1054
Space group: P 3 1 m
Cell volume: 178.471
Cell parameters: 5.3234; 5.3234; 7.2721; 90; 90; 120;  

COD ID: 9016050
CIF file Formula: - Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -
Comments: Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T The Canadian Mineralogist 49 (2011) 1045-1054
Space group: P 3 1 m
Cell volume: 179.069
Cell parameters: 5.3263; 5.3263; 7.2885; 90; 90; 120;  

COD ID: 9016147
CIF file Formula: - Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -
Comments: Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T The Canadian Mineralogist 49 (2011) 1045-1054
Space group: P 3 1 m
Cell volume: 178.675
Cell parameters: 5.3261; 5.3261; 7.273; 90; 90; 120;  

COD ID: 9017723
CIF file Formula: - C2 Ba Ca O6 -
Comments: Bindi, L.; Roberts, A. C.; Biagioni, C. The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of 'hidden' complex twinning in large single crystals Mineralogical Magazine 84 (2020) 699-704
Space group: P 3 1 m
Cell volume: 1613.8
Cell parameters: 17.436; 17.436; 6.1295; 90; 90; 120;  


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