Crystallography Open Database
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Searching space group like 'P 3 1 m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1001006 | CIF | B2 K3 O12 Ta3 | P 3 1 m | 8.775; 8.775; 3.897 90; 90; 120 | 259.9 | 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), 1977, 33, 1841-1845 |
| 1001007 | CIF | B2 K3 Nb3 O12 | P 3 1 m | 8.753; 8.753; 3.966 90; 90; 120 | 263.1 | 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), 1977, 33, 1841-1845 |
| 1001008 | CIF | B2 K3 Nb3 O12 | P 3 1 m | 34.01; 34.01; 3.966 90; 90; 120 | 3972.8 | 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), 1977, 33, 1841-1845 |
| 1001328 | CIF | O8 Pb Re2 | P 3 1 m | 11.276; 11.276; 4.593 90; 90; 120 | 505.8 | 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, 1984, 96, 171-176 |
| 1509925 | CIF | Ag5 O6 Pb2 | P 3 1 m | 5.939; 5.939; 6.428 90; 90; 120 | 196.351 | Evers, L.; Bystroem, A. The Crystal Structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 613-627 |
| 1510073 | CIF | Au Cd | P 3 1 m | 8.1047; 8.1047; 5.7974 90; 90; 120 | 329.79 | Schubert, K.; Alasafi, K.M. Kristallstruktur von Au Cd.r Journal of the Less-Common Metals, 1977, 55, 1-8 |
| 1510578 | CIF | Au6 Cs4 S5 | P 3 1 m | 10.243; 10.243; 5.29 90; 90; 120 | 480.663 | 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., 1996, 243, 12-18 |
| 1529545 | CIF | Ca3 Cl2 H4 O6 | P 3 1 m | 6.31; 6.31; 6.49 90; 90; 120 | 223.787 | Aleksandrova, M.M.; Dmitriev, G.A.; Avojan, R.L. The probable model of the crystal structure of the twobase calcium hypochlorite Armyanskii Khimicheskii Zhurnal, 1968, 21, 380-386 |
| 1529707 | CIF | D6 La Ni5 | P 3 1 m | 5.43; 5.43; 4.28 90; 90; 120 | 109.288 | 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, 1978, 238, 844-847 |
| 1529939 | CIF | D6 La Ni5 | P 3 1 m | 5.41; 5.41; 4.293 90; 90; 120 | 108.814 | Fischer, P.; Schlapbach, L.; Busch, G.; Furrer, A. Neutron scattering investigations of the La Ni5 hydrogen storage system Helvetica Physica Acta, 1977, 50, 421-430 |
| 1531553 | CIF | Fe9.24 H6 Mg2.76 O30 P6 | P 3 1 m | 11.355; 11.355; 5.0394 90; 90; 120 | 562.709 | 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-), 2002, 14, 127-133 |
| 1536107 | CIF | D5.5 La Ni5 | P 3 1 m | 5.336; 5.336; 4.259 90; 90; 120 | 105.019 | 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, 1983, 13, 715-727 |
| 1537459 | CIF | Al1.27 Fe0.1 H4.4 Mg2 O9 Si1.4 | P 3 1 m | 5.295; 5.295; 63.99 90; 90; 120 | 1553.73 | Jahanbagloo, I.C.; Zoltai, T. The crystal structure of a hexagonal Al-serpentine American Mineralogist, 1968, 53, 14-24 |
| 1537661 | CIF | H5.6 La Ni5 | P 3 1 m | 5.41; 5.41; 4.293 90; 90; 120 | 108.814 | Andresen, A. Lanthanum nickel hydride Hydrides for Energy Storage, Norway, 1977, 1977, 61-61 |
| 1538071 | CIF | D6 La Ni5 | P 3 1 m | 5.411; 5.411; 4.293 90; 90; 120 | 108.855 | Furrer, A.; Fischer, P.; Haelg, W.; Schlapbach, L. Localization and diffusion of hydrogen in lanthanum-nickel compounds Hydrides for Energy Storage, Norway, 1978, 1977, 73-82 |
| 1551910 | CIF | C10 H8 Cu O5 | P 3 1 m | 33.028; 33.028; 5.2047 90; 90; 120 | 4916.9 | 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, 2018, 10, 1096-1102 |
| 1557132 | CIF | In8 Ir1.5 S5.25 | P 3 1 m | 13.9378; 13.9378; 8.2316 90; 90; 120 | 1384.9 | 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, 2020, 11, 870-878 |
| 1558459 | CIF | K3 O14 V5 | P 3 1 m | 8.6899; 8.6899; 5.0028 90; 90; 120 | 327.17 | Evans, Jr., Howard T.; Brusewitz, Ann Marie Crystal Structure of Potassium Pentavanadate K3V5O14 Acta Chemica Scandinavica, 1994, 48, 533-536 |
| 1563377 | CIF | O14 Rb3 V5 | P 3 1 m | 8.7134; 8.7134; 5.2807 90; 90; 120 | 347.21 | 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, 2010, 183, 2759-2762 |
| 1570282 | CIF | Cl F6 Na21 O28 S7 | P 3 1 m | 12.1859; 12.1859; 19.308 90; 90; 120 | 2483.04 | 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, 2023, 15, 1871 |
| 1570284 | CIF | Cl F4 Na15 O20 S5 | P 3 1 m | 12.1903; 12.1903; 13.9454 90; 90; 120 | 1794.69 | 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, 2023, 15, 1871 |
| 2310676 | CIF | Fe4 H5 O9 Si | P 3 1 m | 5.49; 5.49; 7.085 90; 90; 120 | 184.933 | Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967), 1963, 16, 1-8 |
| 2311063 | CIF | C H18 Al N3 O14 S2 | P 3 1 m | 11.75; 11.75; 8.94 90; 90; 120 | 1068.92 | 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), 1966, 20, 451-455 |
| 3000456 | CIF | C8 H6 Mg3 O6 | P 3 1 m | 5.05492; 5.05492; 38.818501 90; 90; 120 | 859.009 | Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090 |
| 4003586 | CIF | C6 H21 I9 N6 Pb3 | P 3 1 m | 15.2648; 15.2648; 8.1332 90; 90; 120 | 1641.25 | 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 |
| 4003948 | CIF | B6 K5 La3 Mg2 O18 | P 3 1 m | 9.0834; 9.0834; 6.6139 90; 90; 120 | 472.59 | 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 |
| 4112388 | CIF | Ag3 Li17 Sn6 | P 3 1 m | 8.063; 8.063; 8.51 90; 90; 120 | 479.1 | 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, 2004, 126, 4386-4397 |
| 4307418 | CIF | C15 H12 Co2 N6 O8 | P 3 1 m | 9.548; 9.548; 6.077 90; 90; 120 | 479.8 | 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, 2007, 46, 2503-2510 |
| 4307419 | CIF | C15 H12 Fe2 N6 O8 | P 3 1 m | 9.6956; 9.6956; 6.053 90; 90; 120 | 492.78 | 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, 2007, 46, 2503-2510 |
| 4311318 | CIF | Al40 Ba21 | P 3 1 m | 10.5681; 10.5681; 17.205 90; 90; 120 | 1664.1 | 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, 2004, 43, 4751-4760 |
| 4312179 | CIF | C H18 N3 O14 S2 V | P 3 1 m | 11.8116; 11.8116; 9.0311 90; 90; 120 | 1091.16 | 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, 2004, 43, 8049-8060 |
| 4316136 | CIF | K3 O14 V5 | P 3 1 m | 8.697; 8.697; 4.9434 90; 90; 120 | 323.81 | 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, 2010, 49, 6986-6993 |
| 4316137 | CIF | O14 Rb3 V5 | P 3 1 m | 8.7092; 8.7092; 5.2772 90; 90; 120 | 346.65 | 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, 2010, 49, 6986-6993 |
| 4316138 | CIF | O14 Tl3 V5 | P 3 1 m | 8.7397; 8.7397; 5.0846 90; 90; 120 | 336.34 | 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, 2010, 49, 6986-6993 |
| 4333661 | CIF | Au6.05 Zn12.51 | P 3 1 m | 22.641; 22.641; 7.972 90; 90; 120 | 3539.1 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4337286 | CIF | Ge17 Li18 Na2 | P 3 1 m | 17.0905; 17.0905; 8.0783 90; 90; 120 | 2043.43 | 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, 2014, 53, 2096-2101 |
| 4344385 | CIF | C8 H24 Mo3 N2 Se13 | P 3 1 m | 11.578; 11.578; 6.11 90; 90; 120 | 709.315 | 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, 1995, 34, 2658-2670 |
| 5910284 | CIF | K3 O14 V5 | P 3 1 m | 8.6796; 8.6796; 4.9914 90; 90; 120 | 325.651 | 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, 1951, 3, 493-493 |
| 7047502 | CIF | Ge O6 Pb Te | P 3 1 m | 5.131; 5.131; 5.486 90; 90; 120 | 125.1 | 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), 2018, 47, 16388-16392 |
| 7127991 | CIF | Ba3 Bi6 F11 Li O21 Se7 | P 3 1 m | 9.34; 9.34; 9.71 90; 90; 120 | 733.6 | 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), 2021, 57, 2982-2985 |
| 7127992 | CIF | Ba3 Bi6.5 F10.5 O21.5 Se7 | P 3 1 m | 9.479; 9.479; 9.566 90; 90; 120 | 744.4 | 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), 2021, 57, 2982-2985 |
| 7221471 | CIF | C8 N6 Pb | P 3 1 m | 14.144; 14.144; 4.0902 90; 90; 120 | 708.63 | 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-), 2006, 61, 33-36 |
| 7222742 | CIF | As5 Cs3 O9 | P 3 1 m | 8.455; 8.455; 6.0262 90; 90; 120 | 373.08 | 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-), 2003, 58, 620-626 |
| 7227823 | CIF | C8 H2 Cl2 K N2 O3 | P 3 1 m | 16.044; 16.044; 3.555 90; 90; 120 | 792.5 | 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, 2017, 19, 1801 |
| 7232021 | CIF | C190 H62.67 Cl1.33 N2 P2 Sc6 | P 3 1 m | 21.2827; 21.2827; 22.0855 90; 90; 120 | 8663.5 | 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, 2019, 21, 1645-1649 |
| 7232022 | CIF | C150 H62.67 Cl1.33 P2 | P 3 1 m | 19.7234; 19.7234; 20.1242 90; 90; 120 | 6779.7 | 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, 2019, 21, 1645-1649 |
| 7708872 | CIF | I K O14 Rb U3 | P 3 1 m | 7.1406; 7.1406; 7.4646 90; 90; 120 | 329.61 | 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 |
| 9000848 | CIF | H4 Mg3 O9 Si2 | P 3 1 m | 5.332; 5.332; 7.233 90; 90; 120 | 178.086 | Mellini, M. The crystal structure of lizardite 1T: hydrogen bonds and polytypism American Mineralogist, 1982, 67, 587-598 |
| 9001092 | CIF | H4 Mg3 O9 Si2 | P 3 1 m | 5.325; 5.325; 7.259 90; 90; 120 | 178.257 | 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, 1987, 72, 943-948 |
| 9001363 | CIF | Mn13 O24 Sb Si2 | P 3 1 m | 11.563; 11.563; 11.1 90; 90; 120 | 1285.27 | 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, 1991, 76, 1408-1425 |
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