Crystallography Open Database
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Searching space group like 'P 63 c m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1565090 | CIF | Ba3 Ga28 K2 Li6 S49 | P 63 c m | 19.2135; 19.2135; 12.0481 90; 90; 120 | 3851.79 | Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map. Materials horizons, 2021, 8, 3394-3398 |
| 1565091 | CIF | Ba3 Cs2 Ga28 Li6 S49 | P 63 c m | 19.306; 19.306; 12.0861 90; 90; 120 | 3901.23 | Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map. Materials horizons, 2021, 8, 3394-3398 |
| 1565092 | CIF | Ba3 Ga28 Li6 Rb2 S49 | P 63 c m | 19.2355; 19.2355; 12.0475 90; 90; 120 | 3860.42 | Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map. Materials horizons, 2021, 8, 3394-3398 |
| 1568476 | CIF | C36 H30 B P | P 63 c m | 9.8279; 9.8279; 8.0179 90; 90; 120 | 670.68 | Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo An easy-to-perform evaluation of steric properties of Lewis acids Chemical Science, 2023, 14, 2275-2288 |
| 1568586 | CIF | In O3 Tb | P 63 c m | 6.3088; 6.3088; 12.3067 90; 90; 120 | 424.195 | Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone Crystals, 2023, 13, 287 |
| 1570780 | CIF | Ba2 F31 K3 Zr6 | P 63 c m | 9.4435; 9.4435; 15.3288 90; 90; 120 | 1183.87 | Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters. Chemical science, 2024, 15, 2883-2888 |
| 2011820 | CIF Paper | Mn O3 Y | P 63 c m | 6.1387; 6.1387; 11.4071 90; 90; 120 | 372.27 | Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M. Hexagonal YMnO~3~ Acta Crystallographica Section C, 2001, 57, 230-232 |
| 2011821 | CIF HKL Paper | Mn O3 Y | P 63 c m | 6.1277; 6.1277; 11.411 90; 90; 120 | 371.06 | Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M. Hexagonal YMnO~3~ Acta Crystallographica Section C, 2001, 57, 230-232 |
| 2017068 | CIF Paper | Ba Li2 O4 Si | P 63 c m | 8.1004; 8.1004; 10.60052 90; 90; 120 | 602.38 | Kim, Jinyoung; Ahn, Docheon; Kulshreshtha, Chandramouli; Sohn, Kee-Sun; Shin, Namsoo Lithium barium silicate, Li~2~BaSiO~4~, from synchrotron powder data Acta Crystallographica Section C, 2009, 65, i14-i16 |
| 2021794 | CIF Paper | C15 H24 O3 | P 63 c m | 9.9966; 9.9966; 7.9461 90; 90; 120 | 687.68 | Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V. Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane Acta Crystallographica Section E Crystallographic Communications, 2019, 75, 1578 |
| 2106118 | CIF | Cl3 K Ni | P 63 c m | 11.795; 11.795; 5.926 90; 90; 120 | 713.983 | Visser, D.; Ijdo, D.J.W.; Verschoor, G.C. The structure of K Ni Cl3 at room temperature Acta Crystallographica B (24,1968-38,1982), 1980, 36, 28-34 |
| 2106682 | CIF | Ga O3 Y | P 63 c m | 6.065; 6.065; 11.615 90; 90; 120 | 370.008 | Geller, S.; Jeffries, J.B.; Curlander, P.J. The crystal structure of a new high-temperature modification of Y Ga O3 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2770-2774 |
| 2200261 | CIF | Er Mn O3 | P 63 c m | 6.1121; 6.1121; 11.42 90; 90; 120 | 369.47 | Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M. Hexagonal ErMnO~3~ Acta Crystallographica, Section E, 2001, 57, i38-i40 |
| 2200581 | CIF | Mn O3 Yb | P 63 c m | 6.0584; 6.0584; 11.3561 90; 90; 120 | 360.97 | Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M. Hexagonal YbMnO~3~ revisited Acta Crystallographica, Section E, 2001, 57, i87-i89 |
| 2200582 | CIF | Lu Mn O3 | P 63 c m | 6.038; 6.038; 11.361 90; 90; 120 | 358.7 | Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M. Hexagonal LuMnO~3~ revisited Acta Crystallographica, Section E, 2001, 57, i101-i103 |
| 2218761 | CIF HKL Paper | C21 H36 O3 | P 63 c m | 11.8542; 11.8542; 7.9908 90; 90; 120 | 972.45 | Moreno-Fuquen, Rodolfo; Rios, Eunice; Paredes, Rodrigo; Jaramillo, Luz Marina; Zukerman-Schpector, Julio Redetermination of 2,4,6-tricyclohexyl-1,3,5-trioxane Acta Crystallographica Section E, 2008, 64, o1301 |
| 2300161 | CIF Paper | Mn O3 Y | P 63 c m | 6.22215; 6.22215; 11.37072 90; 90; 120 | 381.241 | Jeong, Il-Kyoung; Hur, N.; Proffen, Th. High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~ Journal of Applied Crystallography, 2007, 40, 730-734 |
| 2300163 | CIF Paper | Mn O3 Yb | P 63 c m | 6.132019; 6.132019; 11.38556 90; 90; 120 | 370.759 | Jeong, Il-Kyoung; Hur, N.; Proffen, Th. High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~ Journal of Applied Crystallography, 2007, 40, 730-734 |
| 2310677 | CIF | Fe4 H5 O9 Si | P 63 c m | 5.49; 5.49; 14.17 90; 90; 120 | 369.867 | Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967), 1963, 16, 1-8 |
| 4000462 | CIF | C6 K2 Mg2 N6 O3 S6 | P 63 c m | 8.8525; 8.8525; 17.327 90; 90; 120 | 1175.9 | Chemistry of Materials, 2004 |
| 4001094 | CIF | C3 H31 Co8 O34 P9 | P 63 c m | 15.141; 15.141; 9.3313 90; 90; 120 | 1852.6 | Zhao, Lang; Li, Jiyang; Chen, Peng; Li, Guanghua; Yu, Jihong; Xu, Ruren 2H3O·[Co8(HPO3)9(CH3OH)3]·2H2O: An Open-Framework Cobalt Phosphite Containing Extra-Large 18-Ring Channels Chemistry of Materials, 2008, 20, 17 |
| 4001737 | CIF | B3 Ba3 O9 Sc | P 63 c m | 9.227; 9.227; 17.135 90; 90; 120 | 1263.39 | Cox, J.R.; Huang, J.-F.; Keszler, D.A. The layered borates Ba3 M (B O3)3 (M=Dy,Ho,Y,Er,Tm,Yb,Lu and Sc) Chemistry of Materials (1,1989-), 1994, 6, 2008-2013 |
| 4002229 | CIF | Ba Mn O3 | P 63 c m | 9.8467; 9.8467; 4.8075 90; 90; 120 | 403.675 | Cussen, E.J.; Battle, P.D. Crystal and magnetic structures of 2H Ba Mn O3 Chemistry of Materials (1,1989-), 2000, 12, 831-838 |
| 4002323 | CIF | Ho Mn O3 | P 63 c m | 6.1413; 6.1413; 11.4122 90; 90; 120 | 372.753 | Munoz, A.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T. Evolution of the magnetic structure of hexagonal Ho Mn O3 from neutron powder diffraction data Chemistry of Materials (1,1989-), 2001, 13, 1497-1505 |
| 4002672 | CIF | Ba14 Mn1.75 O42 Ta10.5 | P 63 c m | 10.07782; 10.07782; 33.44271 90; 90; 120 | 2941.48 | Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering Chemistry of Materials, 2016, 28, 4686 |
| 4031663 | CIF | In O3 Y | P 63 c m | 6.26; 6.26; 12.249 90; 90; 120 | 415.7 | Pistorius, C.W.F.T.; Kruger, G.J. Stability and structure of noncentrosymmetric hexagonal Ln In O3. (Ln = Eu, Gd, Tb, Dy, Ho, Y) Journal of Inorganic and Nuclear Chemistry, 1976, 38, 1471-1475 |
| 4105295 | CIF | Cu3 P | P 63 c m | 6.9986; 6.9986; 7.1357 90; 90; 120 | 302.68 | Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society, 2009, 131, 16177-16188 |
| 4105420 | CIF | In0.37 Mn0.63 O3 Y | P 63 c m | 6.1709; 6.1709; 11.77 90; 90; 120 | 388.15 | Andrew E. Smith; Hiroshi Mizoguchi; Kris Delaney; Nicola A. Spaldin; Arthur W. Sleight; M. A. Subramanian Mn3+ in Trigonal Bipyramidal Coordination: A New Blue Chromophore Journal of the American Chemical Society, 2009, 131, 17084-17086 |
| 4316790 | CIF | Ag2 Cs S6 Te | P 63 c m | 19.41; 19.41; 14.829 90; 90; 120 | 4838.3 | Sandy L. Nguyen; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis (Ag2TeS3)2.A2S6 (A = Rb, Cs): Layers of Silver Thiotellurite Intergrown with Alkali-Metal Polysulfides Inorganic Chemistry, 2010, 49, 9098-9100 |
| 4316791 | CIF | Ag2 Rb S6 Te | P 63 c m | 19.146; 19.146; 14.642 90; 90; 120 | 4648.2 | Sandy L. Nguyen; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis (Ag2TeS3)2.A2S6 (A = Rb, Cs): Layers of Silver Thiotellurite Intergrown with Alkali-Metal Polysulfides Inorganic Chemistry, 2010, 49, 9098-9100 |
| 4322004 | CIF | Cu3 I3 P4 Se4 | P 63 c m | 19.601; 19.601; 6.7196 90; 90; 120 | 2235.8 | Arno Pfitzner; Sara Reiser (CuI)~3~P~4~Se~4~: β-P~4~Se~4~ Cages between Columns of Copper Iodide Inorganic Chemistry, 1999, 38, 2451-2454 |
| 4324111 | CIF | Ge21 O51 | P 63 c m | 28.794; 28.794; 20.603 90; 90; 120 | 14793 | Bing Guo; Andrew K. Inge; Charlotte Bonneau; Junliang Sun; Kirsten E. Christensen; Zhong-Yong Yuan; Xiaodong Zou Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings Inorganic Chemistry, 2011, 50, 201-207 |
| 4331670 | CIF | Ba7 S15 Sn5 | P 63 c m | 25.1234; 25.1234; 8.412 90; 90; 120 | 4598.19 | Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20 Inorganic Chemistry, 2013, 52, 273-279 |
| 4344978 | CIF | C21 H9 N O8 Pb2 | P 63 c m | 21.346; 21.346; 13.033 90; 90; 120 | 5143 | Wu, Yun-Long; Qian, Jinjie; Yang, Guo-Ping; Yang, Fan; Liang, Yu-Tong; Zhang, Wen-Yan; Wang, Yao-Yu High CO2 Uptake Capacity and Selectivity in a Fascinating Nanotube-Based Metal-Organic Framework. Inorganic chemistry, 2017, 56, 908-913 |
| 4348516 | CIF | C24.67 H30.67 Co0.5 N3.33 O14.67 Zn2.5 | P 63 c m | 18.389; 18.389; 17.969 90; 90; 120 | 5262 | Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks. Inorganic chemistry, 2016, 55, 9250-9257 |
| 4348517 | CIF | C24.67 H30.67 N3.33 O14.67 Zn3 | P 63 c m | 18.368; 18.368; 17.964 90; 90; 120 | 5249 | Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks. Inorganic chemistry, 2016, 55, 9250-9257 |
| 4350522 | CIF | C21 H11.8 N3 O13.4 Y2 | P 63 c m | 16.239; 16.239; 7.458 90; 90; 120 | 1703 | Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials. Inorganic chemistry, 2006, 45, 8838-8840 |
| 4350523 | CIF | C21 H15 Er2 N3 O15 | P 63 c m | 16.224; 16.224; 7.412 90; 90; 120 | 1689.6 | Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials. Inorganic chemistry, 2006, 45, 8838-8840 |
| 7035412 | CIF | Ba8 Nb5.1 O24 Sb0.9 Zn | P 63 c m | 10.08267; 10.08267; 19.05159 90; 90; 120 | 1677.31 | Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites. Dalton transactions (Cambridge, England : 2003), 2015, 44, 13173-13185 |
| 7110006 | CIF | C53 H72 B3 F12 N6 | P 63 c m | 15.7431; 15.7431; 12.5624 90; 90; 120 | 2696.4 | Candela Segarra; Jens Linke; Elena Mas-Marza; Dietmar Kuck; Eduardo Peris A C3v-symmetrical tribenzotriquinacene-based threefold N-heterocyclic carbene. Coordination to rhodium(I) and stereoelectronic properties Chem.Commun., 2013, 49, 10572 |
| 7204780 | CIF | C36 H42 Eu2 O12 | P 63 c m | 16.466; 16.466; 7.7375 90; 90; 120 | 1816.8 | Franck Millange; Christian Serre; Jérôme Marrot; Nicole Gardant; Fabienne Pellé; Gérard Férey Synthesis, structure and properties of a three-dimensional porous rare-earth carboxylate MIL-83(Eu): Eu2(O2C-C10H14-CO2)3 J. Mater. Chem., 2004, 14, 642-645 |
| 7214750 | CIF | C24 H24 N6 O14 Zn3 | P 63 c m | 18.5924; 18.5924; 17.9643 90; 90; 120 | 5377.9 | Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks CrystEngComm, 2012, 14, 8684 |
| 7217215 | CIF | Mn O3 Y | P 63 c m | 6.1545; 6.1545; 11.4533 90; 90; 120 | 375.7 | Schmidt-Grund, Rüdiger; Richter, Steffen; Ebbinghaus, Stefan G.; Lorenz, Michael; Bundesmann, Carsten; Grundmann, Marius Electronic transitions and dielectric function tensor of a YMnO3 single crystal in the NIR‒VUV spectral range RSC Advances, 2014 |
| 7222583 | CIF | Mg3 Rh | P 63 c m | 7.905; 7.905; 8.256 90; 90; 120 | 446.791 | Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.; Hoffmann, R.D. Synthesis and structure of Rh Mg3 and Ir3 Mg13 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2004, 59, 251-255 |
| 7237332 | CIF | Gd In O3 | P 63 c m | 6.3301; 6.3301; 12.334 90; 90; 120 | 428.01 | Li, Yanbin; Wang, Yazhong; Tan, Wenjie; Wang, Wenbo; Zhang, Junjie; Kim, Jae Wook; Cheong, Sang-Wook; Tao, Xutang Laser floating zone growth of improper geometric ferroelectric GdInO3 single crystals with Z6 topological defects Journal of Materials Chemistry C, 2018, 6, 7024 |
| 8100296 | CIF | As Cs3 | P 63 c m | 10.783; 10.783; 11.147 90; 90; 120 | 1122.5 | Hirt, Holger; Deiseroth, Hans Jörg Crystal structure of tricaesium arsenide, Cs~3~As Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 6-6 |
| 8100987 | CIF | Al4 Cr4 H1.37 K2.63 Mg4 O14 Si4 | P 63 c m | 5.0279; 5.0279; 13.2161 90; 90; 120 | 289.34 | Mancini, Franco; Harlow, George; Cahill, Cristopher L. Crystal structure of potassium dimagnesium disilicate hydroxide, K~1.3~ (Mg~0.95~Al~0.03~Cr~0.02~)~2~Si~2~O~6.4~(OH)~0.6~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 189-190 |
| 8102899 | CIF | Mg3 Pd | P 63 c m | 7.987; 7.987; 8.422 90; 90; 120 | 465.28 | Makongo, J. P. A.; Kudla, C.; Prots, Yu.; Niewa, R.; Burkhardt, U.; Kreiner, G. Crystal structure of trimagnesium monopalladium, Mg~3~Pd Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 289-292 |
| 8104378 | CIF | Ba9 Ge23 H4 O57 | P 63 c m | 11.6784; 11.6784; 19.2545 90; 90; 120 | 2274.21 | Ozima, M. Structure of a high pressure phase Ba9 Ge23 O53 (O H)4 Zeitschrift fuer Kristallographie (149,1979-), 1986, 175, 125-130 |
| 9001091 | CIF | H4 Mg3 O9 Si2 | P 63 c m | 5.318; 5.318; 14.541 90; 90; 120 | 356.141 | Mellini, M.; Zanazzi, P. F. Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy Sample: Lizardite-2H1 Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints American Mineralogist, 1987, 72, 943-948 |
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