Crystallography Open Database
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Searching space group like 'I 4/m c m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548467 | CIF | C H0.378 D5.622 I3 N Pb | I 4/m c m | 8.79948; 8.79948; 12.6882 90; 90; 90 | 982.458 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
| 1549359 | CIF HKL Paper | Br F4 K | I 4/m c m | 6.0999; 6.0999; 11.0509 90; 90; 90 | 411.19 | Ivlev, Sergei I.; Kraus, Florian Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data IUCrData, 2018, 3, x180646 |
| 1551894 | CIF | F Fe H4 O8 P2 | I 4/m c m | 9.0187; 9.0187; 7.8058 90; 90; 90 | 634.9 | Ma, Zihan; Lander, Laura; Nishimura, Shin-ichi; Fukakusa, Chihoko; Yamada, Teppei; Okubo, Masashi; Yamada, Atsuo Synthesis, crystal structure and possible proton conduction of Fe(H2PO4)2F Solid State Ionics, 2019, 338, 134 |
| 1556408 | CIF HKL Paper | Br F4 Rb | I 4/m c m | 6.2991; 6.2991; 11.4659 90; 90; 90 | 454.95 | Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data IUCrData, 2019, 4, x191595 |
| 1560353 | CIF | Li0.19 N0.23 Nb0.81 O2.77 Sr | I 4/m c m | 5.67715; 5.67715; 8.0495 90; 90; 90 | 259.44 | Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba) Journal of Solid State Chemistry, 2017, 254, 1-8 |
| 1560354 | CIF | N0.18 Na0.2 Nb0.8 O2.82 Sr | I 4/m c m | 5.71841; 5.71841; 8.1222 90; 90; 90 | 265.6 | Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba) Journal of Solid State Chemistry, 2017, 254, 1-8 |
| 1560355 | CIF | Mg0.22 N0.4 Nb0.78 O2.6 Sr | I 4/m c m | 5.67651; 5.67651; 8.0758 90; 90; 90 | 260.22 | Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba) Journal of Solid State Chemistry, 2017, 254, 1-8 |
| 1560411 | CIF | Ba5 Cl Cs Se9 Ti2 | I 4/m c m | 8.7897; 8.7897; 14.3415 90; 90; 90 | 1108.01 | Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A. Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5 Journal of Solid State Chemistry, 2017, 253, 258-262 |
| 1561057 | CIF | H4 In N Se4 Sn | I 4/m c m | 8.3731; 8.3731; 6.7188 90; 90; 90 | 471.05 | Wang, Jingrui; Li, Peng; Cai, Ting; Yang, Dan-Dan; Xiong, Wei-Wei Four two-dimensional ternary selenides based on group 13 and 14 metals: Syntheses, crystal structures, and electrochemical properties Journal of Solid State Chemistry, 2018, 263, 88-93 |
| 1561352 | CIF | Al Ge4 U3 | I 4/m c m | 7.762; 7.762; 11.092 90; 90; 90 | 668.278 | Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O. Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases Journal of Solid State Chemistry, 2016, 243, 168-178 |
| 1561354 | CIF | Al0.5 Ge4.5 U3 | I 4/m c m | 7.724; 7.724; 11.056 90; 90; 90 | 659.603 | Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O. Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases Journal of Solid State Chemistry, 2016, 243, 168-178 |
| 1561462 | CIF | Eu Nb O3 | I 4/m c m | 5.6869; 5.6869; 8.0514 90; 90; 90 | 260.389 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561486 | CIF | Ga3 Ta5 | I 4/m c m | 10.2199; 10.2199; 5.1121 90; 90; 90 | 533.94 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1561487 | CIF | Ga3 Ta5 | I 4/m c m | 6.5986; 6.5986; 11.931 90; 90; 90 | 519.49 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1561545 | CIF | Ga0.33 La2 S5 Sb | I 4/m c m | 7.5193; 7.5193; 13.4126 90; 90; 90 | 758.35 | Zhao, Hua-Jun Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties Journal of Solid State Chemistry, 2016, 237, 99-104 |
| 1561910 | CIF | Ba2 Cl Na S4 Sn | I 4/m c m | 8.2162; 8.2162; 14.3022 90; 90; 90 | 965.48 | Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties Journal of Solid State Chemistry, 2015, 227, 104-109 |
| 1561911 | CIF | Ba2 Cl K S4 Sn | I 4/m c m | 8.3552; 8.3552; 14.454 90; 90; 90 | 1009.02 | Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties Journal of Solid State Chemistry, 2015, 227, 104-109 |
| 1562238 | CIF | Ba3 Cl In S4 | I 4/m c m | 8.3613; 8.3613; 14.3806 90; 90; 90 | 1005.37 | Pan, Ming-Yan; Xia, Sheng-Qing; Liu, Xiao-Cun; Tao, Xu-Tang Ba3GeS5 and Ba3InS4Cl: Interesting size effects originated from the tetrahedral anions Journal of Solid State Chemistry, 2014, 219, 74-79 |
| 1562949 | CIF | Cs1.5 Se19 U9 | I 4/m c m | 15.3325; 15.3325; 26.7223 90; 90; 90 | 6282 | Oh, George N.; Ibers, James A. Synthesis, structure, and electrical resistivity of Cs3U18Se38 Journal of Solid State Chemistry, 2012, 192, 81-86 |
| 1564773 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.13; 15.13; 19.32 90; 90; 90 | 4423 | Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A. Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure Chemical Science, 2021 |
| 1564779 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.11; 15.11; 19.2672 90; 90; 90 | 4398.9 | Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A. Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure Chemical Science, 2021 |
| 1564780 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 14.9647; 14.9647; 19.266 90; 90; 90 | 4314.5 | Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A. Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure Chemical Science, 2021 |
| 1567489 | CIF | Ca O3 Ti | I 4/m c m | 5.4984; 5.4984; 7.7828 90; 90; 90 | 235.29 | Ali, R.; Yashima, M. Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : tetragonal phase at 1598 K Journal of Solid State Chemistry, 2005, 178, 2867-2872 |
| 1571671 | CIF | C26 H27 F N2 O8 Zn2 | I 4/m c m | 15.4014; 15.4014; 19.1444 90; 90; 90 | 4541.11 | Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks. Chemical science, 2024, 15, 9641-9648 |
| 2001367 | CIF Paper | In K Te2 | I 4/m c m | 8.598; 8.598; 7.312 90; 90; 90 | 540.5 | Hung, Y.-C.; Hwu, S.-J. The KInTe~2~ structure revisited Acta Crystallographica Section C, 1993, 49, 1588-1589 |
| 2002509 | CIF | Ba Nd2 O5 Zn | I 4/m c m | 6.7747; 6.7747; 11.548 90; 90; 90 | 530 | Mueller-Buschbaum, Hk; Sonne, P Ba Zn Nd2 O5: eine neue Struktur bei Oxometallaten Ba M Ln2 O5 Journal of the Less-Common Metals, 1990, 167, 193-198 |
| 2002571 | CIF | Ba La2 O5 Zn | I 4/m c m | 6.9091; 6.9091; 11.5907 90; 90; 90 | 553.3 | Mueller-Buschbaum, Hk; Moehr, S Zur Kenntnis von Ba Zn Tb2 O5 und Ba Zn La2 O5 Journal of the Less-Common Metals, 1991, 170, 127-133 |
| 2002987 | CIF Paper | In1.4 Se2 Tl0.6 | I 4/m c m | 8.054; 8.054; 6.805 90; 90; 90 | 441.4 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 Acta Crystallographica Section B, 1998, 54, 358-364 |
| 2002988 | CIF Paper | In1.2 Se2 Tl0.8 | I 4/m c m | 8.056; 8.056; 6.826 90; 90; 90 | 443 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 Acta Crystallographica Section B, 1998, 54, 358-364 |
| 2002989 | CIF Paper | In0.8 Se2 Tl1.2 | I 4/m c m | 8.057; 8.057; 6.83 90; 90; 90 | 443.37 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 Acta Crystallographica Section B, 1998, 54, 358-364 |
| 2007345 | CIF Paper | Cl5 Cs3 Ni | I 4/m c m | 9.224; 9.224; 14.551 90; 90; 90 | 1238 | Sassmannshausen, Markus; Lutz, Heinz Dieter Caesium Nickel(II) Trichloride, CsNiCl~3~, and Tricaesium Nickel(II) Pentachloride, Cs~3~NiCl~5~ Acta Crystallographica Section C, 1998, 54, 704-706 |
| 2010454 | CIF | Al2.7 Fe Si2.3 | I 4/m c m | 6.061; 6.061; 9.525 90; 90; 90 | 349.9 | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N. FeAl~3~Si~2~ Acta Crystallographica Section C, 1995, 51, 177-179 |
| 2011038 | CIF HKL Paper | Ba4 Bi3 K O | I 4/m c m | 8.96; 8.96; 16.617 90; 90; 90 | 1334 | Derrien, Gaelle; Tillard, Monique; Monconduit, Laure; Belin, Claude Potassium barium bismuth oxide Acta Crystallographica Section C, 2000, 56, e232-e232 |
| 2011750 | CIF HKL Paper | Cl5 Co Cs3 | I 4/m c m | 9.0793; 9.0793; 14.4862 90; 90; 90 | 1194.15 | Figgis, Brian N.; Sobolev, Alexandre N. Cs~3~CoCl~5~ at 10K Acta Crystallographica Section C, 2001, 57, 139-140 |
| 2014225 | CIF Paper | N3.72 Nb4 O8.28 Sr4 | I 4/m c m | 5.7056; 5.7056; 8.1002 90; 90; 90 | 263.69 | Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K Acta Crystallographica Section C, 2004, 60, i91-i93 |
| 2014226 | CIF Paper | N3.84 Nb4 O8.16 Sr4 | I 4/m c m | 5.6938; 5.6938; 8.0974 90; 90; 90 | 262.51 | Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K Acta Crystallographica Section C, 2004, 60, i91-i93 |
| 2019549 | CIF HKL | Br5 Hg2 I4 Tl5 | I 4/m c m | 8.5611; 8.5611; 30.227 90; 90; 90 | 2215.4 | Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Szyrej, Malgorzata; Levkovets, Sergii; Parasyuk, Oleh A new semiconducting quaternary mixed halogenide: pentathallium dimercury pentabromide tetraiodide, Tl~5~Hg~2~Br~5~I~4~ Acta Crystallographica Section C, 2014, 70 |
| 2020043 | CIF | Ga Nb5 Sn2 | I 4/m c m | 10.586; 10.586; 5.177 90; 90; 90 | 580.152 | Ukei, K.; Shishido, T.; Fukuda, T. Structure of Nb5 Sn2 Ga Acta Crystallographica C (39,1983-), 1989, 45, 349-350 |
| 2106111 | CIF | Rh2 Y3 | I 4/m c m | 12.232; 12.232; 25.16 90; 90; 90 | 3764.49 | Moreau, J.M.; Parthe, E.; Paccard, D. The tetragonal crystal structure of R3 Rh2 compounds with R= Gd, Tb, Dy, Ho, Er, Y Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1767-1771 |
| 2106288 | CIF | Pt20 Pu31 | I 4/m c m | 11.302; 11.302; 37.388 90; 90; 90 | 4775.76 | Cromer, D.T.; Larson, A.C. The crystal structure of Pu31 Pt20 and Pu31 Rh20 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2620-2627 |
| 2106289 | CIF | Pu31 Rh20 | I 4/m c m | 11.076; 11.076; 36.933 90; 90; 90 | 4530.86 | Cromer, D.T.; Larson, A.C. The crystal structure of Pu31 Pt20 and Pu31 Rh20 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2620-2627 |
| 2106309 | CIF | Cl5 Co Cs3 | I 4/m c m | 9.063; 9.063; 14.45 90; 90; 90 | 1186.89 | Figgis, B.N.; Mason, R.; Smith, A.R.P.; Williams, G.A. Neutron diffraction structure of Cs3 Co Cl5 at 4.2 K Acta Crystallographica B (24,1968-38,1982), 1980, 36, 509-512 |
| 2106312 | CIF | Ca31 Sn20 | I 4/m c m | 12.542; 12.542; 40 90; 90; 90 | 6292.07 | Fornasini, M.L.; Franceschi, E. The crystal structure of Ca31 Sn20 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3476-3479 |
| 2106454 | CIF | Ba3 O5 Si | I 4/m c m | 7.3023; 7.3023; 11.2178 90; 90; 90 | 598.173 | Tillmanns, E.; Grosse, H.P. Refinement of tribarium silicate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 649-651 |
| 2106537 | CIF | Si U3 | I 4/m c m | 6.033; 6.033; 8.69 90; 90; 90 | 316.291 | Kimmel, G. Atomic positions in U3 Si Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1351-1353 |
| 2106586 | CIF | C4 H0.39 Cs2 F0.78 N4 Pt | I 4/m c m | 13.057; 13.057; 5.665 90; 90; 90 | 965.799 | Schultz, A.J.; Williams, J.M.; Gerrity, D.P. Structural studies of precursor and partially oxidized conducting complexes. XVI. An X-ray diffraction study of dicesium tetracyanoplatinate hydrogendifluoride Cs2 (Pt (C N)4) (F H F)0.39 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1673-1674 |
| 2106667 | CIF | Pu5 Ru3 | I 4/m c m | 10.745; 10.745; 5.719 90; 90; 90 | 660.287 | Cromer, D.T.; Larson, A.C.; Roof, R.B.jr. The structure of Pu5 Ru3 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1756-1757 |
| 2106747 | CIF | Al3 F19 Pb5 | I 4/m c m | 14.29; 14.29; 7.23 90; 90; 90 | 1476.4 | Abrahams, S.C.; Ravez, J.; Ritter, H.; Ihringer, J. Structure-property correlation over five phases and four transitions in Pb5 Al3 F19 Acta Crystallographica B (39,1983-), 2003, 59, 557-574 |
| 2106782 | CIF | Ir3 Pu5 | I 4/m c m | 11.012; 11.012; 5.727 90; 90; 90 | 694.48 | Cromer, D.T. Plutonium-iridium Pu5 Ir3 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1996-1997 |
| 2107167 | CIF | S2 Sr | I 4/m c m | 6.095; 6.095; 7.616 90; 90; 90 | 282.927 | Kawada, I.; Kato, K.; Yamaoka, S. Strontium disulphide prepared at high pressure Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3110-3111 |
| 2107224 | CIF | Cl5 Co Cs3 | I 4/m c m | 9.123; 9.123; 14.499 90; 90; 90 | 1206.74 | Figgis, B.N.; Kucharski, E.S.; Reynolds, P.A. Electron density distribution in Cs3 Co Cl5 Acta Crystallographica B (39,1983-), 1989, 45, 232-240 |
| 2207460 | CIF HKL Paper | Mn Sn2 | I 4/m c m | 6.6438; 6.6438; 5.4206 90; 90; 90 | 239.27 | Yongkwan Dong; Francis J. DiSalvo Reinvestigation of MnSn~2~ Acta Crystallographica Section E, 2005, 61, i282-i284 |
| 2210462 | CIF HKL Paper | C14 H8 O4 | I 4/m c m | 13.64; 13.64; 6.678 90; 90; 90 | 1242.4 | dRuyck, Jérôme de; Preat, Julien; Perpète, Eric A.; Jacquemin, Denis; Wouters, Johan 2,6-Dihydroxyanthraquinone: an isomer of the well known alizarin dye Acta Crystallographica Section E, 2006, 62, o4503-o4505 |
| 2213127 | CIF HKL Paper | Cl5 Cs3 Zn | I 4/m c m | 9.2421; 9.2421; 14.4928 90; 90; 90 | 1237.9 | Fejfarova, Karla; Ouarsal, Rachid; El Bali, Brahim; Dušek, Michal; Lachkar, Mohammed Tricaesium tetrachloridozincate(II) chloride Acta Crystallographica Section E, 2007, 63, i136-i137 |
| 2218078 | CIF HKL Paper | C24 H48 Cd4 N4 O24 | I 4/m c m | 16.7103; 16.7103; 7.3533 90; 90; 90 | 2053.29 | Fun, Hoong-Kun; Chantrapromma, Suchada; Marandi, Farzin μ-Pyrazine-bis[tetraaquacadmium(II)] μ-pyrazine-bis[tetraacetatocadmium(II)] Acta Crystallographica Section E, 2008, 64, m736-m737 |
| 2225931 | CIF HKL Paper | In3.84 La21 Ru10.16 | I 4/m c m | 12.1298; 12.1298; 25.982 90; 90; 90 | 3822.78 | Tursina, Anna I.; Cherviakov, Sergei G.; Noël, Henri; Chernyshev, Vladimir V.; Seropegin, Yuri D. Lanthanum ruthenium indide, La~21~Ru~9+<i>x~</i>In~5-<i>x~</i> (<i>x</i> = 1.2) Acta Crystallographica Section E, 2010, 66, i40 |
| 2232444 | CIF HKL Paper | La5 Sn Zn2 | I 4/m c m | 8.3277; 8.3277; 14.334 90; 90; 90 | 994.1 | Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Chumak, Igor; Ehrenberg, Helmut La~5~Zn~2~Sn Acta Crystallographica Section E, 2011, 67, i65 |
| 2239099 | CIF HKL | La5 Pb2.606 Zn0.394 | I 4/m c m | 12.763; 12.763; 6.368 90; 90; 90 | 1037.3 | Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Harbrecht, Bernd Pentalanthanum zinc diplumbide, La~5~Zn~1{-~<i>x</i>}Pb~2+<i>x~</i> (<i>x</i> ≃0.6) Acta Crystallographica Section E, 2014, 70, i2-i3 |
| 2243970 | CIF HKL Paper | Pb2 Rh0.95 | I 4/m c m | 6.7068; 6.7068; 5.8623 90; 90; 90 | 263.69 | Mochiku, Takashi; Matsushita, Yoshitaka; Subotić, Nikola; Kashiwagi, Takanari; Kadowaki, Kazuo Redetermination of the crystal structure of RhPb~2~ from single-crystal X-ray diffraction data, revealing a rhodium deficiency Acta Crystallographica Section E, 2021, 77, 1327-1329 |
| 2310165 | CIF | Ni U6 | I 4/m c m | 10.37; 10.37; 5.21 90; 90; 90 | 560.267 | Baenziger, N.C.; Wilson, A.S.; Snow, A.I.; Rundle, R.E. Compounds of uranium with the transition metals of the first long period Acta Crystallographica (1,1948-23,1967), 1950, 3, 34-40 |
| 2310191 | CIF | Pd Th2 | I 4/m c m | 7.33; 7.33; 5.93 90; 90; 90 | 318.612 | Ferro, R.; Capelli, R. The phase C16 type in the thorium-palladium alloy system Acta Crystallographica (1,1948-23,1967), 1964, 17, 64-65 |
| 2310220 | CIF | Ni Zr2 | I 4/m c m | 6.477; 6.477; 5.241 90; 90; 90 | 219.868 | Kirkpatrick, M.E.; Smith, J.F.; Bailey, D.M. The structures of Ni Zr2, Ni Zr and their hafnium analogs Acta Crystallographica (1,1948-23,1967), 1962, 15, 252-255 |
| 2310304 | CIF | Ce Co3 Pu4 | I 4/m c m | 10.73; 10.73; 5.383 90; 90; 90 | 619.76 | Larson, A.C.; Roof, R.B.jr.; Cromer, D.T. The crystal structure of phase C in the ternary system Ce-Pu-Co Acta Crystallographica (1,1948-23,1967), 1964, 17, 1382-1386 |
| 2310495 | CIF | K N3 | I 4/m c m | 6.1188; 6.1188; 7.1015 90; 90; 90 | 265.878 | Stevens, E.D. Experimental charge density distribution in potassium azide by diffraction methods Acta Crystallographica A (24,1968-38,1982), 1977, 33, 580-584 |
| 2310551 | CIF | Pu5 Si3 | I 4/m c m | 11.409; 11.409; 5.448 90; 90; 90 | 709.14 | Cromer, D.T.; Larson, A.C.; Roof, R.B.jr. The Crystal Structure of Pu5 Si3 Acta Crystallographica (1,1948-23,1967), 1964, 17, 947-950 |
| 2310578 | CIF | Cl5 Co Cs3 | I 4/m c m | 9.219; 9.219; 14.554 90; 90; 90 | 1236.94 | Figgis, B.N.; Gerloch, M.; Mason, R. A least-squares refinement of the crystal structure of tricesium pentachlorocobalt(II), Cs3 Co Cl5 Acta Crystallographica (1,1948-23,1967), 1964, 17, 506-507 |
| 2310667 | CIF | Br F4 K | I 4/m c m | 6.174; 6.174; 11.103 90; 90; 90 | 423.227 | Siegel, S. The crystal structure of K Br F4 Acta Crystallographica (1,1948-23,1967), 1956, 9, 493-495 |
| 2310687 | CIF | O3 Sr Ti | I 4/m c m | 5.511; 5.511; 7.796 90; 90; 90 | 236.773 | Tsuda, K.; Tanaka, M. Refinement of crystal structure parameters using convergent-beam electron diffraction: the low-temperature phase of SrTiO~3~ Acta Crystallographica Section A, 1995, 51, 7-19 |
| 2310931 | CIF | Si Zr2 | I 4/m c m | 6.612; 6.612; 5.2943 90; 90; 90 | 231.459 | Pietrokowsky, P. The intermediate phase Zr2 Si Acta Crystallographica (1,1948-23,1967), 1954, 7, 435-438 |
| 2311002 | CIF | Th2 Zn | I 4/m c m | 7.6; 7.6; 5.64 90; 90; 90 | 325.766 | Baenziger, N.C.; Snow, A.I.; Rundle, R.E. Structures of the compounds Th2 Cu, Th Cu2, Th2 Zn and Th Hg3 Acta Crystallographica (1,1948-23,1967), 1956, 9, 93-94 |
| 2312361 | CIF HKL Paper | Al2.83 Ru Si2.17 | I 4/m c m | 6.20079; 6.20079; 9.6937 90; 90; 90 | 372.721 | Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru Crystal structures of five compounds in the aluminium-ruthenium-silicon system. Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 946-951 |
| 3000563 | On hold until 2025-02-16 | C4 Ca0.25 Dy0.5 Fe1.5 K0.5 Mg0.5 O35 Si8 Y3.5 | I 4/m c m | 17.53637; 17.53637; 9.55702 90; 90; 90 | 2939.02 | Daisuke Nishio-Hamane; Koichi Momma; Norimasa Shimobayashi; Masayuki Ohnishi; Toshinori Kobayashi Miyawakiite-(Y), Y4Fe2(Si8O20)(CO3)4(H2O)3, a new mineral from Suishoyama, Kawamata Town, Fukushima Prefecture, Japan To be published |
| 4000883 | CIF | Al0.6 Ca1.2 Ce0.0225 F0.5775 O4.4225 Si0.4 Sr1.7775 | I 4/m c m | 6.66027; 6.66027; 10.82919 90; 90; 90 | 480.374 | Setlur, Anant A.; Radkov, Emil V.; Henderson, Claire S.; Her, Jae-Hyuk; Srivastava, Alok M.; Karkada, Nagaveni; Kishore, M. Satya; Kumar, N. Prasanth; Aesram, Danny; Deshpande, Anirudha; Kolodin, Boris; Grigorov, Ljudmil S.; Happek, Uwe Energy-Efficient, High-Color-Rendering LED Lamps Using Oxyfluoride and Fluoride Phosphors Chemistry of Materials, 2010, 22, 4076 |
| 4001729 | CIF | Ag5 Cl Te2 | I 4/m c m | 9.7783; 9.7783; 7.8658 90; 90; 90 | 752.09 | Nilges, T.; Doert, T.; Pfitzner, A.; Boettcher, P.; Nilsen, S. Structure-property relations and diffusion pathways of the silver ion conductor Ag5 Te2 Cl Chemistry of Materials (1,1989-), 2004, 16, 806-812 |
| 4002213 | CIF | Hf5 Ru0.46 Sb2.54 | I 4/m c m | 10.8754; 10.8754; 5.6042 90; 90; 90 | 662.83 | Xie, Weiwei; Luo, Huixia; Seibel, Elizabeth M.; Nielsen, Morten B.; Cava, Robert J. Superconductivity in Hf5Sb3‒xRux: Are Ru and Sb a Critical Charge-Transfer Pair for Superconductivity? Chemistry of Materials, 2015, 27, 4511 |
| 4002355 | CIF | Fe0.9 Sb5.1 Zr10 | I 4/m c m | 11.066; 11.066; 5.535 90; 90; 90 | 677.796 | Kwon Young-Uk; Sevov, S.C.; Corbett, J.D. Substituted W5 Si3- and Zr6 Al2 Co-phases formed in the zirconium-antimony and zirconium-tin systems with iron group metals Chemistry of Materials (1,1989-), 1990, 2, 550-556 |
| 4002426 | CIF | La0.567 Li0.3 O3 Ti | I 4/m c m | 5.48027; 5.48027; 7.75591 90; 90; 90 | 232.936 | Sommariva, M.; Catti, M. Neutron diffraction study of quenched Li0.3 La0.567 Ti O3 lithium ion conducting perovskite Chemistry of Materials (1,1989-), 2006, 18, 2411-2417 |
| 4002464 | CIF | N O2 Sr Ta | I 4/m c m | 5.69411; 5.69411; 8.0658 90; 90; 90 | 261.517 | Clarke, S.J.; Hardstone, K.A.; Rosseinsky, M.J.; Michie, C.W. High-temperature synthesis and structures of perovskite and n = 1 Ruddlesden-Popper tantalum oxynitrides Chemistry of Materials (1,1989-), 2002, 14, 2664-2669 |
| 4002916 | CIF | Bi2 Mn | I 4/m c m | 6.83148; 6.83148; 5.6572 90; 90; 90 | 264.017 | Walsh, James P. S.; Clarke, Samantha M.; Puggioni, Danilo; Tamerius, Alexandra D.; Meng, Yue; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E. MnBi2: A Metastable High-Pressure Phase in the Mn‒Bi System Chemistry of Materials, 2019, 31, 3083 |
| 4003353 | CIF | C4.25 H6 N0.75 O1.5 Zn0.25 | I 4/m c m | 15.0812; 15.0812; 19.2621 90; 90; 90 | 4381 | Lee, Hui-Chun; Hwang, Jongkook; Schilde, Uwe; Antonietti, Markus; Matyjaszewski, Krzysztof; Schmidt, Bernhard V. K. J. Toward Ultimate Control of Radical Polymerization: Functionalized Metal‒Organic Frameworks as a Robust Environment for Metal-Catalyzed Polymerizations Chemistry of Materials, 2018, 30, 2983 |
| 4003606 | CIF | C132 H108 Cl6 O40 Zr12 | I 4/m c m | 36.739; 36.739; 73.888 90; 90; 90 | 99731 | Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D. Ligand-Based Phase Control in Porous Zirconium Coordination Cages Chemistry of Materials, 2020 |
| 4027806 | CIF | Ag F4 K | I 4/m c m | 5.847; 5.847; 11.553 90; 90; 90 | 394.967 | Hoppe, R.; Bachmann, B.; Mueller, B.G.; Milicev, S.; Zemva, B.; Lutar, K. Potassium tetrafluoroargentate(III): preparation, crystal structureand vibrational spectra European Journal of Solid State Inorganic Chemistry, 1991, 28, 1335-1346 |
| 4030434 | CIF | F12 H I2 K | I 4/m c m | 9.706; 9.706; 10.548 90; 90; 90 | 993.7 | Mahjoub, A.R.; Leopold, D.; Seppelt, K. Iodine pentafluoride-hydrogen fluoride co-crystallisates, directed weak interactions European Journal of Solid State and Inorganic Chemistry, 1992, 29, 635-647 |
| 4030528 | CIF | Cd Cu F4 | I 4/m c m | 5.328; 5.328; 10.32 90; 90; 90 | 292.96 | Gredin, P.; de Kozak, A.; Chassaing, J.; Quarton, M. The binary system CuF2-CdF2. Structural, spectroscopic and magnetic studies on CdCuF4 European Journal of Solid State and Inorganic Chemistry, 1993, 30, 789-800 |
| 4030702 | CIF | F3 K Mn | I 4/m c m | 5.817; 5.817; 8.256 90; 90; 90 | 279.36 | Asbrink, S; Waskowska, A High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa European Journal of Solid State Inorganic Chemistry, 1994, 31, 747-755 |
| 4030703 | CIF | F3 K Mn | I 4/m c m | 5.784; 5.784; 8.236 90; 90; 90 | 275.53 | Asbrink, S; Waskowska, A High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa European Journal of Solid State Inorganic Chemistry, 1994, 31, 747-755 |
| 4030704 | CIF | F3 K Mn | I 4/m c m | 5.742; 5.742; 8.223 90; 90; 90 | 271.12 | Asbrink, S; Waskowska, A High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa European Journal of Solid State Inorganic Chemistry, 1994, 31, 747-755 |
| 4105033 | CIF | As F10 H3 O Xe2 | I 4/m c m | 8.715; 8.715; 12.989 90; 90; 90 | 986.5 | Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+ Journal of the American Chemical Society, 2009, 131, 13474-13489 |
| 4107485 | CIF | C26 H20 Fe N6 O4 S2 | I 4/m c m | 14.796; 14.796; 17.399 90; 90; 90 | 3809 | Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework Journal of the American Chemical Society, 2008, 130, 2869-2876 |
| 4110908 | CIF | Au4 In2 K | I 4/m c m | 8.6675; 8.6675; 8.3684 90; 90; 90 | 628.68 | Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393 |
| 4110909 | CIF | Au4 In2 Rb | I 4/m c m | 8.8349; 8.8349; 8.2736 90; 90; 90 | 645.8 | Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393 |
| 4110910 | CIF | Au4 In2 K0.65 Rb0.35 | I 4/m c m | 8.7852; 8.7852; 8.3259 90; 90; 90 | 642.59 | Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393 |
| 4110911 | CIF | Au4 In2 K0.87 Rb0.13 | I 4/m c m | 8.7032; 8.7032; 8.337 90; 90; 90 | 631.49 | Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393 |
| 4111268 | CIF | C34 H24 N6 Zn | I 4/m c m | 12.384; 12.384; 22.765 90; 90; 90 | 3491.3 | Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion Journal of the American Chemical Society, 2006, 128, 16416-16417 |
| 4124105 | CIF | Cr F3 K | I 4/m c m | 6.0523; 6.0523; 8.02196 90; 90; 90 | 293.847 | Margadonna, S.; Karotsis, G. Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite Journal of the American Chemical Society, 2006, 128, 16435-16437 |
| 4124388 | CIF | C H6 I3 N Pb | I 4/m c m | 8.8392; 8.8392; 12.6948 90; 90; 90 | 991.86 | Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements. Journal of the American Chemical Society, 2015, 150814091520002 |
| 4130624 | CIF | C8.84 H8 F5 N4 Nb Ni O2.68 | I 4/m c m | 9.903; 9.903; 15.72 90; 90; 90 | 1541.7 | Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption. Journal of the American Chemical Society, 2016, 138, 9301-9307 |
| 4130625 | CIF | C8 H12 F5 N4 Nb Ni O3 | I 4/m c m | 9.943; 9.943; 15.764 90; 90; 90 | 1558.5 | Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption. Journal of the American Chemical Society, 2016, 138, 9301-9307 |
| 4135458 | CIF | Bi2 Mo | I 4/m c m | 6.4155; 6.4155; 5.488 90; 90; 90 | 225.88 | Altman, Alison B.; Tamerius, Alexandra D.; Koocher, Nathan Z.; Meng, Yue; Pickard, Chris J.; Walsh, James P. S.; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E. Computationally Directed Discovery of MoBi2 Journal of the American Chemical Society, 2020 |
| 4302867 | CIF | Cl5 Cs Pb2 | I 4/m c m | 8.107; 8.107; 14.698 90; 90; 90 | 966 | Min Kyung Kim; Vinna Jo; Kang Min Ok New Variant of Highly Symmetric Layered Perovskite with Coordinated NO3- Ligand: Hydrothermal Synthesis, Structure, and Characterization of Cs2PbCl2(NO3)2 Inorganic Chemistry, 2009, 48, 7368-7372 |
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