Crystallography Open Database
Search results
Result: there are 393 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'P -4 21 m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1569275 | CIF | B2 Cd Ga O7 Tb | P -4 21 m | 7.3487; 7.3487; 4.7247 90; 90; 90 | 255.15 | Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors RSC Advances, 2023, 13, 16272-16284 |
| 1572115 | CIF | C51 H69 La N2 O2 P | P -4 21 m | 21.1393; 21.1393; 10.827 90; 90; 90 | 4838.3 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1573547 | CIF | B2 Ba Ca Cs F O5 | P -4 21 m | 8.8668; 8.8668; 8.7669 90; 90; 90 | 689.25 | Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides. Chemical science, 2025, 16, 2015-2023 |
| 1573548 | CIF | B2 Ba Ca F O5 Rb | P -4 21 m | 8.7713; 8.7713; 4.3173 90; 90; 90 | 332.15 | Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides. Chemical science, 2025, 16, 2015-2023 |
| 1573549 | CIF | B2 Ba Ca F K O5 | P -4 21 m | 8.7276; 8.7276; 4.284 90; 90; 90 | 326.32 | Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides. Chemical science, 2025, 16, 2015-2023 |
| 2002625 | CIF | Be2 Nd2 O7 Si | P -4 21 m | 7.47; 7.47; 4.864 90; 90; 90 | 271.4 | Mueller, C; Mueller-Buschbaum, Hk Zwei Oxometallate mit Melilith-Struktur: Nd2 Si Be2 O7 und Ho2 Si Be2 O7 Journal of Alloys Compd., 1993, 199, 151-154 |
| 2002626 | CIF | Be2 Ho2 O7 Si | P -4 21 m | 7.288; 7.288; 4.754 90; 90; 90 | 252.5 | Mueller, C; Mueller-Buschbaum, Hk Zwei Oxometallate mit Melilith-Struktur: Nd2 Si Be2 O7 und Ho2 Si Be2 O7 Journal of Alloys Compd., 1993, 199, 151-154 |
| 2003112 | CIF Paper | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.6947 90; 90; 90 | 146.65 | Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results Acta Crystallographica Section B, 1999, 55, 45-54 |
| 2003215 | CIF Paper | C12 H32 Cl4 N2 Zn | P -4 21 m | 13.087; 13.087; 11.793 90; 90; 90 | 2019.8 | Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~ Acta Crystallographica Section C, 1995, 51, 220-222 |
| 2004305 | CIF Paper | C2 H12 N4 O26 Pb3 Re6 S2 | P -4 21 m | 16.208; 16.208; 5.8 90; 90; 90 | 1523.7 | Macícek, J.; Angelova, O. Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea) Acta Crystallographica Section C, 1995, 51, 2539-2542 |
| 2005683 | CIF Paper | C12 H32 Cl4 Cu N2 | P -4 21 m | 13.078; 13.078; 11.871 90; 90; 90 | 2030 | Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P. Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~] Acta Crystallographica Section C, 1996, 52, 2674-2676 |
| 2010026 | CIF Paper | C3 H9 Cl O5 S | P -4 21 m | 11.605; 11.605; 6.005 90; 90; 90 | 808.7 | Kolinsky, C.; Puget, R.; de Brauer, C.; Jannin, M. Structures of trimethyloxosulfonium salts. VIII. New refinement of the perchlorate (CH~3~)~3~SO^+^.ClO~4~^{-^} Acta Crystallographica Section C, 1994, 50, 1514-1516 |
| 2010100 | CIF Paper | C16 H40 Br4 Cd N2 | P -4 21 m | 13.453; 13.453; 14.3945 90; 90; 90 | 2605.2 | Geselle, M.; Fuess, H. Bis(tetraethylammonium) tetrabromocadmate Acta Crystallographica Section C, 1994, 50, 1582-1585 |
| 2010853 | CIF HKL Paper | C16 H40 I4 N2 Zn | P -4 21 m | 13.6929; 13.6929; 14.8094 90; 90; 90 | 2776.7 | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L. Bis(tetraethylammonium) tetraiodozincate at 150 and 301K Acta Crystallographica Section C, 2000, 56, e124-e125 |
| 2010854 | CIF HKL Paper | C16 H40 I4 N2 Zn | P -4 21 m | 13.8199; 13.8199; 14.8975 90; 90; 90 | 2845.3 | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L. Bis(tetraethylammonium) tetraiodozincate at 150 and 301K Acta Crystallographica Section C, 2000, 56, e124-e125 |
| 2018257 | CIF HKL Paper | Dy2 Mo3 O12 | P -4 21 m | 7.295; 7.295; 10.578 90; 90; 90 | 562.9 | Dorzhieva, Sesegma; Chumak, Ihor; Sarapulova, Angelina; Mikhailova, Daria; Bazarova, Jibzema; Ehrenberg, Helmut A tetragonal form of dysprosium orthomolybdate at room temperature Acta Crystallographica Section C, 2011, 67, i50-i52 |
| 2018972 | CIF HKL Paper | C6 H8 Mn N2 O6 | P -4 21 m | 8.8324; 8.8324; 6.4406 90; 90; 90 | 502.44 | Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations Acta Crystallographica Section C, 2013, 69, 616-619 |
| 2019369 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Birkedal, Henrik; Madsen, Dennis; Mathiesen, Ragnvald H.; Knudsen, Kenneth; Weber, Hans-Peter; Pattison, Philip; Schwarzenbach, Dieter The charge density of urea from synchrotron diffraction data Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 371-381 |
| 2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2100936 | CIF Paper | Ca2 Co O7 Si2 | P -4 21 m | 7.8417; 7.8417; 5.0249 90; 90; 90 | 308.99 | Hagiya, K.; Ohmasa, M.; Iishi, K. The modulated structure of synthetic Co-åkermanite, Ca~2~CoSi~2~O~7~ Acta Crystallographica Section B, 1993, 49, 172-179 |
| 2102160 | CIF Paper | Ca1.74 Co O7 Si2 Sr0.26 | P -4 21 m | 7.8743; 7.8743; 5.0417 90; 90; 90 | 312.61 | Bagautdinov, B.; Hagiya, K.; Kusaka, K.; Ohmasa, M.; Iishi, K. Two-dimensional incommensurately modulated structure of (Sr~0.13~Ca~0.87~)~2~CoSi~2~O~7~ crystals Acta Crystallographica Section B, 2000, 56, 811-821 |
| 2103245 | CIF Paper | Ta | P -4 21 m | 10.211; 10.211; 5.3064 90; 90; 90 | 553.3 | Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir The self-hosting structure of β-Ta Acta Crystallographica Section B, 2002, 58, 1-7 |
| 2103917 | CIF HKL Paper | Ta | P -4 21 m | 10.201; 10.201; 5.3075 90; 90; 90 | 552.3 | Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir The commensurate composite σ-structure of β-tantalum Acta Crystallographica Section B, 2003, 59, 324-336 |
| 2105715 | CIF | Ta | P -4 21 m | 10.201; 10.201; 5.3075 90; 90; 90 | 552.3 | Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir The commensurate composite σ-structure of β-tantalum Acta Crystallographica Section B Structural Science, 2003, 59, 324 |
| 2106179 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.86; 7.86; 5.024 90; 90; 90 | 310.381 | Bindi, L.; Chapuis, G.; Bonazzi, P.; Petricek, V.; Dusek, M. Five-dimensional structure refinement of natural melilite, (Ca1.89 Sr0.01 Na0.08 K0.02) (Mg0.92 Al0.08) (Si1.98 Al0.02) O7 Acta Crystallographica B (39,1983-), 2001, 57, 739-746 |
| 2106748 | CIF | Ta | P -4 21 m | 10.211; 10.211; 5.3064 90; 90; 90 | 553.269 | Arakcheeva, A.V.; Chapuis, G.; Birkedal, H.; Grinevich, V.V.; Pattison, P. The commensurate composite sigma-structure of beta-tantalum Acta Crystallographica B (39,1983-), 2003, 59, 324-336 |
| 2108749 | CIF HKL | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2201770 | CIF | Ba2 Co O7 Si2 | P -4 21 m | 8.1709; 8.1709; 5.3374 90; 90; 90 | 356.34 | El Bali, Brahim; Zavalij, Peter Y. Tetragonal form of barium cobalt disilicate, Ba~2~CoSi~2~O~7~ Acta Crystallographica, Section E, 2003, 59, i59-i61 |
| 2205376 | CIF HKL Paper | Cl H4 N O2 | P -4 21 m | 6.3397; 6.3397; 3.756 90; 90; 90 | 150.96 | Smolentsev, Anton I.; Naumov, Dmitry Yu. Ammonium chlorite, NH~4~ClO~2~, at 150K Acta Crystallographica Section E, 2005, 61, i38-i40 |
| 2243495 | CIF HKL Paper | C3 H7 Cs O3 | P -4 21 m | 17.7764; 17.7764; 4.2223 90; 90; 90 | 1334.25 | Samolová, Erika; Fábry, Jan Caesium propanoate monohydrate Acta Crystallographica Section E, 2020, 76, 1307-1310 |
| 2300614 | CIF HKL | Ba2 Co Ge2 O7 | P -4 21 m | 8.392; 8.392; 5.561 90; 90; 90 | 391.64 | Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect? Journal of Applied Crystallography, 2016, 49, 556-560 |
| 2310857 | CIF | Cl H4 N O2 | P -4 21 m | 6.349; 6.349; 3.778 90; 90; 90 | 152.29 | Gillespie, R.B.; Sparks, R.A.; Trueblood, K.N. The crystal structure of ammonium chlorite at -35 C Acta Crystallographica (1,1948-23,1967), 1959, 12, 867-872 |
| 2311086 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A, 2016, 72, 206-214 |
| 2311534 | CIF Paper | C8 H5 Br2 N | P -4 21 m | 14.6731; 14.6731; 3.9727 90; 90; 90 | 855.32 | Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J. Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1913-1916 |
| 2311535 | CIF | C8 H5 Br2 N | P -4 21 m | 14.69; 14.69; 4.0703 90; 90; 90 | 878.4 | Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J. Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1913-1916 |
| 2312561 | CIF Paper | C H4 N2 O | P -4 21 m | 5.596; 5.596; 4.7164 90; 90; 90 | 147.7 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
| 2312562 | CIF Paper | C H4 N2 O | P -4 21 m | 5.596; 5.596; 4.7164 90; 90; 90 | 147.7 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
| 4000261 | CIF | C10 H16 Cl4 Cu Hg3 N6 | P -4 21 m | 10.9576; 10.9576; 9.8516 90; 90; 90 | 1182.87 | Draper, Neil D.; Batchelor, Raymond J.; Sih, Bryan C.; Ye, Zuo-Guang; Leznoff, Daniel (N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II) tetrachloromercurate(II) Chemistry of Materials, 2003 |
| 4002227 | CIF | N4 O3 Si3 Y2 | P -4 21 m | 7.652; 7.652; 4.96 90; 90; 90 | 290.423 | Fang, C.M.; de Wijs, G.A.; de Groot, R.A.; Metselaar, R.; Hintzen, H.T.; de With, G. O/N ordering in Y2 Si3 O3 N4 with the melilite-type structure from first-principles calculations Chemistry of Materials (1,1989-), 2000, 12, 1071-1075 |
| 4063469 | CIF | C37 H39 B Mo2 S4 | P -4 21 m | 14.6955; 14.6955; 7.7749 90; 90; 90 | 1679.05 | Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+ Organometallics, 2010, 29, 448-462 |
| 4064945 | CIF | C20 H45 I N2 P2 Pd | P -4 21 m | 11.7918; 11.7918; 9.4299 90; 90; 90 | 1311.2 | Gwynne, Erin A.; Stephan, Douglas W. Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes Organometallics, 2011, 30, 4128 |
| 4065895 | CIF | C47 H76 Cl4 Zr4 | P -4 21 m | 21.7273; 21.7273; 10.5748 90; 90; 90 | 4992.1 | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming Syntheses and Structures of Zirconium Tetranuclear Polyhydrides Organometallics, 2010, 29, 2685 |
| 4065896 | CIF | C46 H74 Cl4 Zr4 | P -4 21 m | 21.62; 21.62; 10.6009 90; 90; 90 | 4955.1 | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming Syntheses and Structures of Zirconium Tetranuclear Polyhydrides Organometallics, 2010, 29, 2685 |
| 4065897 | CIF | C22 H39 Cl2 O0.5 Zr2 | P -4 21 m | 16.0703; 16.0703; 9.6812 90; 90; 90 | 2500.2 | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming Syntheses and Structures of Zirconium Tetranuclear Polyhydrides Organometallics, 2010, 29, 2685 |
| 4078328 | CIF | C18 H30 N4 Rh2 | P -4 21 m | 11.1652; 11.1652; 8.0783 90; 90; 90 | 1007.05 | Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A. Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes Organometallics, 1996, 15, 2967 |
| 4103516 | CIF | C7 H5 F N3 S4 | P -4 21 m | 15.8542; 15.8542; 4.1273 90; 90; 90 | 1037.42 | Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer Journal of the American Chemical Society, 2010, 132, 16212-16224 |
| 4105296 | CIF | Cu3 Se2 | P -4 21 m | 6.469; 6.469; 4.203 90; 90; 90 | 175.9 | 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 |
| 4105297 | CIF HKL | Cu3 Se2 | P -4 21 m | 6.66; 6.66; 4.102 90; 90; 90 | 181.9 | 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 |
| 4105337 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 16.09457; 16.09457; 3.98958 90; 90; 90 | 1033.44 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
| 4105338 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 16.07661; 16.07661; 3.94232 90; 90; 90 | 1018.92 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!