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 |
|---|---|---|---|---|---|---|
| 4512483 | CIF | N0.2 Na0.19 O2.8 Sr Ta0.81 | I 4/m c m | 5.7216; 5.7216; 8.0923 90; 90; 90 | 264.92 | Kim, Young-Il; Paik, Younkee; Avdeev, Maxim Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study Crystal Growth & Design, 2015, 15, 53 |
| 4518631 | CIF | Br0.67 Cs I Mn0.33 | I 4/m c m | 10.0942; 10.0942; 15.88 90; 90; 90 | 1618.06 | Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites ACS Energy Letters, 2021, 1901-1911 |
| 4518632 | CIF | Br5 Cs3 Mn | I 4/m c m | 9.6044; 9.6044; 15.5668 90; 90; 90 | 1435.95 | Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites ACS Energy Letters, 2021, 1901-1911 |
| 4518633 | CIF | Cl5 Cs3 Mn | I 4/m c m | 9.1751; 9.1751; 14.8827 90; 90; 90 | 1252.86 | Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites ACS Energy Letters, 2021, 1901-1911 |
| 4518635 | CIF | Br3 Cl2 Cs3 Mn | I 4/m c m | 9.499; 9.499; 15.089 90; 90; 90 | 1361.5 | Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites ACS Energy Letters, 2021, 1901-1911 |
| 4518636 | CIF | Br2 Cl3 Cs3 Mn | I 4/m c m | 9.466; 9.466; 14.999 90; 90; 90 | 1344 | Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites ACS Energy Letters, 2021, 1901-1911 |
| 6000096 | CIF | N O2 Sr Ta | I 4/m c m | 5.7049; 5.7049; 8.0499 90; 90; 90 | 261.99 | Gunther, E.; Hagenmayer, R.; Jansen, M. Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and LaTaON2 by neutron and X-ray powder diffraction Zeitschrift Fur Anorganische Und Allgemeine Chemie, 2000, 626, 1519-1525 |
| 6000275 | CIF | N Na3 O3 | I 4/m c m | 6.4917; 6.4917; 9.1941 90; 90; 90 | 387.46 | Klosters, G.; Jansen, M. Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2 Journal of Solid State Chemistry, 1999, 145, 267-275 |
| 6000290 | CIF | Ba La2 O5 Zn | I 4/m c m | 6.90991; 6.90991; 11.59782 90; 90; 90 | 553.749 | Kaduk, J. A.; Wong-Ng, W.; Greenwood, W.; Dillingham, J.; Toby, B. H. Crystal structures and reference powder patterns of BaR2ZnO5 (R = La, Nd, Sm, Eu, Gd, Dy, Ho, Y, Er, and Tm) Journal of Research of the National Institute of Standards and Technology, 1999, 104, 147-171 |
| 6000291 | CIF | Ba Nd2 O5 Zn | I 4/m c m | 6.75982; 6.75982; 11.54565 90; 90; 90 | 527.58 | Kaduk, J. A.; Wong-Ng, W.; Greenwood, W.; Dillingham, J.; Toby, B. H. Crystal structures and reference powder patterns of BaR2ZnO5 (R = La, Nd, Sm, Eu, Gd, Dy, Ho, Y, Er, and Tm) Journal of Research of the National Institute of Standards and Technology, 1999, 104, 147-171 |
| 6000313 | CIF | Cd Cs3 H5 | I 4/m c m | 8.4359; 8.4359; 12.6136 90; 90; 90 | 897.64 | Bortz, M.; Gutmann, M.; Yvon, K. Synthesis and structure determination of the first ternary cadmium hydride, Cs~3~CdH~5~ Journal of Alloys and Compounds, 1999, 285, L19-L21 |
| 6000314 | CIF | Cd Cs3 D5 | I 4/m c m | 8.4235; 8.4235; 12.592 90; 90; 90 | 893.47 | Bortz, M.; Gutmann, M.; Yvon, K. Synthesis and structure determination of the first ternary cadmium hydride, Cs~3~CdH~5~ Journal of Alloys and Compounds, 1999, 285, L19-L21 |
| 6000347 | CIF | Ag2 Bi O6 Ti2 | I 4/m c m | 5.5166; 5.5166; 7.8134 90; 90; 90 | 237.79 | Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O. Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3 Chemistry of Materials, 1999, 11, 177-183 |
| 6000751 | CIF | Ba3 Cu3 O12 Sc4 | I 4/m c m | 11.9021; 11.9021; 8.3962 90; 90; 90 | 1189.41 | Gregory, D. H.; Mawdsley, P. R.; Barker, S. J.; Daniell, W.; Weston, D. P. Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3Cu3Sc4O12 and of 334-phase solid solution members Ba3Cu3Sc4-xInxO12 (0 <= x <= 4) Journal of Materials Chemistry, 2001, 11, 806-814 |
| 7015449 | CIF | C H6 I3 N Sn | I 4/m c m | 8.7271; 8.7271; 12.5022 90; 90; 90 | 952.2 | Takahashi, Yukari; Obara, Rena; Lin, Zheng-Zhong; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu; Ishibashi, Shoji; Terakura, Kiyoyuki Charge-transport in tin-iodide perovskite CH(3)NH(3)SnI(3): origin of high conductivity. Dalton transactions (Cambridge, England : 2003), 2011, 40, 5563-5568 |
| 7016527 | CIF | Ba5 Ga4 Se10 | I 4/m c m | 8.7522; 8.7522; 13.971 90; 90; 90 | 1070.2 | Yin, Wenlong; Mei, Dajiang; Feng, Kai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng Ba(5)Ga(4)Se(10): a new selenidogallate containing the novel [Ga(4)Se(10)](10-) anionic cluster with Ga in a mixed-valence state. Dalton transactions (Cambridge, England : 2003), 2011, 40, 9159-9162 |
| 7032562 | CIF | Li0.32 N3.56 O7.64 Sr3.68 Ta3.68 | I 4/m c m | 5.69719; 5.69719; 8.07118 90; 90; 90 | 261.974 | Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution. Dalton transactions (Cambridge, England : 2003), 2014, 43, 16830-16837 |
| 7032563 | CIF | Li1.08 N2.32 O7.28 Sr2.92 Ta2.92 | I 4/m c m | 5.69071; 5.69071; 8.0673 90; 90; 90 | 261.253 | Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution. Dalton transactions (Cambridge, England : 2003), 2014, 43, 16830-16837 |
| 7032564 | CIF | Li1.08 N2.32 O7.28 Sr2.92 Ta2.92 | I 4/m c m | 5.69035; 5.69035; 8.06693 90; 90; 90 | 261.208 | Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution. Dalton transactions (Cambridge, England : 2003), 2014, 43, 16830-16837 |
| 7032565 | CIF | Li0.68 N2.96 O7.52 Sr3.32 Ta3.32 | I 4/m c m | 5.69444; 5.69444; 8.06977 90; 90; 90 | 261.676 | Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution. Dalton transactions (Cambridge, England : 2003), 2014, 43, 16830-16837 |
| 7037269 | CIF | K0.94 Se2 Tl1.06 | I 4/m c m | 8.0075; 8.0075; 7.0104 90; 90; 90 | 449.51 | Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5958-5967 |
| 7037659 | CIF | C29.5 H36.7 N5.3 O12.1 Zn2 | I 4/m c m | 15.021; 15.021; 19.222 90; 90; 90 | 4337.1 | Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D. Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4316-4326 |
| 7038650 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.0624; 15.0624; 19.2541 90; 90; 90 | 4368.3 | Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO). Dalton transactions (Cambridge, England : 2003), 2016, 45, 4187-4192 |
| 7038651 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.0294; 15.0294; 19.2362 90; 90; 90 | 4345.1 | Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO). Dalton transactions (Cambridge, England : 2003), 2016, 45, 4187-4192 |
| 7038847 | CIF | Ge2 Na2 Se6 Zn | I 4/m c m | 7.7568; 7.7568; 18.734 90; 90; 90 | 1127.2 | Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7627-7633 |
| 7040395 | CIF | B5 Cs3 H20 Mg | I 4/m c m | 9.7115; 9.7115; 16.254 90; 90; 90 | 1532.97 | Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W. Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14370-14377 |
| 7040397 | CIF | B5 H20 Mg Rb3 | I 4/m c m | 9.2996; 9.2996; 15.993 90; 90; 90 | 1383.1 | Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W. Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14370-14377 |
| 7043103 | CIF | Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 | I 4/m c m | 5.6682; 5.6682; 8.017 90; 90; 90 | 257.57 | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017 |
| 7043105 | CIF | Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 | I 4/m c m | 5.595; 5.595; 7.9158 90; 90; 90 | 247.8 | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017 |
| 7043107 | CIF | Nb0.4 O3 Sr0.8 Ti0.12 Zr0.48 | I 4/m c m | 5.694282; 5.694282; 8.077236 90; 90; 90 | 261.903 | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017 |
| 7043108 | CIF | Nb0.4 O3 Sr0.8 Zr0.6 | I 4/m c m | 5.72625; 5.72625; 8.13217 90; 90; 90 | 266.653 | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017 |
| 7043111 | CIF | Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 | I 4/m c m | 5.664962; 5.664962; 8.01659 90; 90; 90 | 257.267 | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017 |
| 7043112 | CIF | Nb0.4 O3 Sr0.8 Zr0.6 | I 4/m c m | 5.725077; 5.725077; 8.132035 90; 90; 90 | 266.54 | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017 |
| 7044744 | CIF | C4 H8 Mo2 O11 P2 Rb2 | I 4/m c m | 9.8278; 9.8278; 29.6603 90; 90; 90 | 2864.8 | Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4) Dalton Transactions, 2017 |
| 7046414 | CIF | C18 Mn4 N22 Nb2 O6 | I 4/m c m | 11.83052; 11.83052; 13.53251 90; 90; 90 | 1894.03 | Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide. Dalton transactions (Cambridge, England : 2003), 2018, 47, 11888-11894 |
| 7046415 | CIF | C18 Mn4 Mo2 N22 O6 | I 4/m c m | 11.6902; 11.6902; 13.3582 90; 90; 90 | 1825.54 | Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide. Dalton transactions (Cambridge, England : 2003), 2018, 47, 11888-11894 |
| 7061188 | CIF | C96 H425 Cu16 K2 N64 Nb48 O233 V21 | I 4/m c m | 26.3773; 26.3773; 27.4429 90; 90; 90 | 19094 | Guo, Hui-Li; Wang, Yi-Kun; Qu, Xiao-Jie; Feng, Rui; Pang, Jing-Yu; Bai, Yan; Dang, Dong-Bin Crystal structure and electrochemistry properties of one two-dimensional heteropolyoxoniobate based on four- and five-vanadium-capped Keggin anions New Journal of Chemistry, 2022, 46, 1494-1497 |
| 7102061 | CIF | C19 H14 N O4 Zn | I 4/m c m | 15.348; 15.348; 18.938 90; 90; 90 | 4461.1 | Tanaka, Daisuke; Horike, Satoshi; Kitagawa, Susumu; Ohba, Masaaki; Hasegawa, Miki; Ozawa, Yoshiki; Toriumi, Koshiro Anthracene array-type porous coordination polymer with host-guest charge transfer interactions in excited states. Chemical communications (Cambridge, England), 2007, 3142-3144 |
| 7104667 | CIF | C137 H100 Cr F28.5 N33.5 O1.2 P5 V4 | I 4/m c m | 33.307; 33.307; 28.8894 90; 90; 90 | 32049 | Freedman, Danna E; Jenkins, David M; Long, Jeffrey R Strong magnetic exchange coupling in the cyano-bridged coordination clusters [(PY5Me2)4V4M(CN)6]5+ (M = Cr, Mo). Chemical communications (Cambridge, England), 2009, 34, 4829-4831 |
| 7104668 | CIF | C135 H100 F28 Mo N33 O0.5 P5 V4 | I 4/m c m | 33.492; 33.492; 29.015 90; 90; 90 | 32546 | Freedman, Danna E; Jenkins, David M; Long, Jeffrey R Strong magnetic exchange coupling in the cyano-bridged coordination clusters [(PY5Me2)4V4M(CN)6]5+ (M = Cr, Mo). Chemical communications (Cambridge, England), 2009, 34, 4829-4831 |
| 7109018 | CIF | C100 H52 N4 O21 Zn5 | I 4/m c m | 30.701; 30.701; 28.957 90; 90; 90 | 27293 | Jacob A. Johnson; Qipu Lin; Lai-Chin Wu; Nasrat Obaidi; Zachary L. Olson; Tyler C. Reeson; Yu-Sheng Chen; Jian Zhang A 'pillar-free', highly porous metalloporphyrinic framework exhibiting eclipsed porphyrin arrays Chem.Commun., 2013, 49, 2828 |
| 7112000 | CIF | C34 H48 Fe2 N6 O12 | I 4/m c m | 15.0927; 15.0927; 19.2519 90; 90; 90 | 4385.4 | Kanokwan Kongpatpanich; Satoshi Horike; Masayuki Sugimoto; Shinji Kitao; Makoto Seto; Susumu Kitagawa A porous coordination polymer with a reactive diiron paddlewheel unit Chem.Commun., 2014, 50, 2292 |
| 7130786 | CIF | Br0.62 N0.12 Pb0.25 | I 4/m c m | 8.4; 8.4; 14.5 90; 90; 90 | 1023.12 | Li, Chengmin; Juarez-Perez, Emilio J.; Mayoral, Alvaro Atomic understanding of Formamidinium Hybrid Halide Perovskite, FAPbBr3 Chemical Communications, 2022 |
| 7131968 | CIF | Ba La5 N7 O3 V2 | I 4/m c m | 6.8833; 6.8833; 11.34 90; 90; 90 | 537.287 | Zhang, Shirui; Wang, Xiaoming; Fang, Leiming; Li, Jiachen; Xu, Yingying; Ren, Zihan; Yang, Zupei; Kuang, Xiaojun; Jiao, Huan BaLa5V2O3N7: A Novel Anti-Perovskite Oxynitride for Electrode Applications Chemical Communications, 2023 |
| 7132116 | CIF | C8 H8 F4 N4 Ni O6.129 W | I 4/m c m | 9.91785; 9.91785; 15.71517 90; 90; 90 | 1545.8 | O'Nolan, Daniel; Chatterton, Lindsey; Bellamy, Timothy; Ennis, J. Todd; Soukri, Mustapha Enhanced CO<sub>2</sub> sorption properties in a polarizable [WO<sub>2</sub>F<sub>4</sub>]<sup>2-</sup>-pillared physisorbent under direct air capture conditions. Chemical communications (Cambridge, England), 2023 |
| 7200426 | CIF | C80 H136 F24 N16 O36 Si4 Zn4 | I 4/m c m | 16.0491; 16.0491; 15.3683 90; 90; 90 | 3958.5 | Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks CrystEngComm, 2009, 11, 189 |
| 7200427 | CIF | C26.97 H18.97 Cl8.9 F6 N4 Si Zn | I 4/m c m | 19.594; 19.594; 15.0666 90; 90; 90 | 5784.4 | Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks CrystEngComm, 2009, 11, 189 |
| 7200428 | CIF | C32 H24 F6 N4 Si Zn | I 4/m c m | 22.0593; 22.0593; 15.0937 90; 90; 90 | 7344.8 | Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks CrystEngComm, 2009, 11, 189 |
| 7205113 | CIF | C42 H24 Co2 N2 O10 | I 4/m c m | 15.4168; 15.4168; 27.623 90; 90; 90 | 6565.4 | He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands CrystEngComm, 2011, 13, 1509 |
| 7205450 | CIF | C16 H27 Ag6 Cl N12 O2 | I 4/m c m | 21.816; 21.816; 6.881 90; 90; 90 | 3275 | Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction CrystEngComm, 2011, 13, 1504 |
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