Crystallography Open Database

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1542076 CIFFe0.25 H0.5 Na2 O11 Si4 Ti0.75I 4/m10.72; 10.72; 7.99
90; 90; 90
918.198Pyatenko, Yu.A.; Pudovkina, Z.V.
Crystal structure of narsarsukite
Kristallografiya, 1960, 5, 563-573
1542963 CIFC124 H72 Cl16 N16 Tb2I 4/m14.313; 14.313; 25.736
90; 90; 90
5272Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro
Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets
Chem. Sci., 2016, 7, 4329
1544361 CIFIn O6 Sr2 TaI 4/m5.7783; 5.7783; 8.1929
90; 90; 90
273.55Zhou, Q.; Kennedy, B.J.; Avdeev, M.
Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C
Physics and Chemistry of Minerals, 2013, 40, 603-610
1544719 CIFMn8 O16 Rb1.5I 4/m9.915; 9.915; 2.866
90; 90; 90
281.7Yamamoto, N.; Oka, Y.; Tamada, O.
Single crystal growth and structure determination of Rb1.5Mn8O16 hollandite
Mineralogical Journal, 1990, 15, 41-49
1544720 CIFBa0.06 Fe0.16 H0.32 K0.98 Mn7.84 Na0.33 O16.16I 4/m9.832; 9.832; 2.8648
90; 90; 90
276.94Kubo, H.; Miura, H.; Hariya, Y.
Tetragonal-monoclinic transformation of cryptomelane at high temperature
Mineralogical Journal, 1990, 15, 50-63
1545628 CIFBa F5 TiI 4/m15.091; 15.091; 7.67
90; 90; 90
1746.8Eicher, S. M.; Greedan, J. E.
Crystal structures and magnetic properties of BaTiF5 and CaTiF5
Journal of Solid State Chemistry, 1984, 52, 12-21
1546127 CIFF19 Fe3 Sr5I 4/m14.294; 14.294; 7.307
90; 90; 90
1493Graulich, J.; Babel, D.
Zweikernige aniongruppen [Fe2F10]4- in der kristallstruktur von Sr5Fe3F19
Zeitschrift fur anorganische und allgemeine Chemie, 1991, 597, 51-59
1547343 CIFC48 H112 As8 Ga Na5 O68 Pd12I 4/m15.8084; 15.8084; 24.853
90; 90; 90
6210.9Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.
Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study
Chem. Sci., 2017
1547344 CIFC48 H102 As8 La Na5 O63 Pd12I 4/m15.8839; 15.8839; 25.1431
90; 90; 90
6343.6Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.
Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study
Chem. Sci., 2017
1547346 CIFC48 H100 As8 In Na5 O62 Pd12I 4/m15.7992; 15.7992; 24.954
90; 90; 90
6228.9Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.
Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study
Chem. Sci., 2017
1547689 CIFC25 H16 F8 O12 P4 Zr3I 4/m33.081; 33.081; 15.832
90; 90; 90
17326Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga
Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system
Nature Communications, 2017, 8, 15369
1547894 CIFC208 H168 Cu24 O144 S8I 4/m28.535; 28.535; 39.508
90; 90; 90
32169Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe
Evolution of form in metal–organic frameworks
Nature Communications, 2017, 8, 14070
1549392 CIFC60 H148 Cl42 O76 U38I 4/m19.6962; 19.6962; 29.9535
90; 90; 90
11620.2Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry
Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.
Chemical science, 2018, 9, 5021-5032
1551164 CIFC228 H204 Cu24 N12 O144I 4/m28.6201; 28.6201; 39.803
90; 90; 90
32603Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian
Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages
Chemical Science, 2019
1552056 CIFC80 H59 F11 N2 O37 Tb6I 4/m15.2613; 15.2613; 19.903
90; 90; 90
4635.6Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi
Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks
Nature Chemistry, 2014, 6, 673-680
1557166 CIFBa2 O14 Si4 V2I 4/m7.0429; 7.0429; 11.444
90; 90; 90
567.65Hans-Peter Bojar; Franz Walter; Judith Baumgartner
Bavsiite, Ba2V2O2[Si4O12], mineral data and crystal structure
Mineralogical Magazine, 2019, 83, 821-827
1557307 CIFAl7 B4 Li O17I 4/m10.5454; 10.5454; 5.6246
90; 90; 90
625.49Ahman, Johan; Svensson, Goran; Grins, Jekabs
Lithium Aluminium Borate, LiAl7B4O17
Acta Chemica Scandinavica, 1997, 51, 1045-1050
1559550 CIFC44 H28 Cl2 N4 TiI 4/m13.5956; 13.5956; 9.8681
90; 90; 90
1824.02Christensen, A. Norlund; Grand, A.; Lehmann, M. S.; Cox, D. E.
A Synchrotron X-Ray Powder Diffraction Study of the Structure of trans-Dichlorotitanium(IV) Tetraphenylporphyrin
Acta Chemica Scandinavica, 1990, 44, 103-105
1562187 CIFK1.55 Ni0.78 O16 Ti7.22I 4/m10.192; 10.192; 2.9764
90; 90; 90
309.2Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562188 CIFK1.51 O16 Sc1.51 Ti6.49I 4/m10.244; 10.244; 3.0077
90; 90; 90
315.63Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562189 CIFCr1.54 K1.54 O16 Ti6.46I 4/m10.141; 10.141; 2.9637
90; 90; 90
304.8Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562190 CIFK1.6 O16 Ti6.4 V1.6I 4/m10.1539; 10.1539; 2.9684
90; 90; 90
306.05Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562191 CIFK1.36 O16 Ti8I 4/m10.2386; 10.2386; 2.9794
90; 90; 90
312.33Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562192 CIFFe1.52 K1.53 O16 Ti6.48I 4/m10.153214; 10.153214; 2.96732
90; 90; 90
305.894Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562193 CIFK1.4 Mn1.36 O16 Ti6.64I 4/m10.185483; 10.185483; 2.953156
90; 90; 90
306.372Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562194 CIFCo0.73 K1.47 O16 Ti7.27I 4/m10.15689; 10.15689; 2.96478
90; 90; 90
305.854Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562195 CIFK1.63 Ni0.76 O16 Ti7.24I 4/m10.146517; 10.146517; 2.963254
90; 90; 90
305.072Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Journal of Solid State Chemistry, 2014, 220, 45-53
1562201 CIFF O10 Rb2 Sc Si4I 4/m11.2619; 11.2619; 8.3053
90; 90; 90
1053.36Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M.
One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization
Journal of Solid State Chemistry, 2014, 220, 79-90
1563079 CIFBa2 Ca O6 WI 4/m5.93741; 5.93741; 8.4015
90; 90; 90
296.18Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.
Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides
Journal of Solid State Chemistry, 2012, 185, 107-116
1563082 CIFMo O6 Sr2 ZnI 4/m5.58682; 5.58682; 7.9864
90; 90; 90
249.276Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.
Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides
Journal of Solid State Chemistry, 2012, 185, 107-116
1567889 CIFC16 H28 I6 N4 PbI 4/m10.9954; 10.9954; 25.0526
90; 90; 90
3028.8Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan
Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.
Materials horizons, 2023, 10, 536-546
1568020 CIFC30 H15 F2 N3 O6.62 Y1.5I 4/m17.7478; 17.7478; 25.9278
90; 90; 90
8166.85Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai
Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs
Chemical Science, 2022
1568136 CIFCu4 Na4.39 O Se4I 4/m11.232; 11.232; 4.0301
90; 90; 90
508.43Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Discovery of chalcogenides structures and compositions using mixed fluxes
Nature, 2022, 612, 72-77
1568139 CIFCu4 Na4.55 O S4I 4/m10.9081; 10.9081; 3.886
90; 90; 90
462.38Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Discovery of chalcogenides structures and compositions using mixed fluxes
Nature, 2022, 612, 72-77
1568143 CIFCu3.52 K4.33 O0.88 Se4I 4/m12.335; 12.335; 4.433
90; 90; 90
674.5Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Discovery of chalcogenides structures and compositions using mixed fluxes
Nature, 2022, 612, 72-77
1568148 CIFBa9 Cu13.46 Na4 O8 S12I 4/m20.247; 20.247; 3.9958
90; 90; 90
1638Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Discovery of chalcogenides structures and compositions using mixed fluxes
Nature, 2022, 612, 72-77
1568160 CIFCu6.09 Rb Se4I 4/m10.561; 10.561; 3.974
90; 90; 90
443.24Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Discovery of chalcogenides structures and compositions using mixed fluxes
Nature, 2022, 612, 72-77
1569672 CIFC224 H96 N8 O144 Ru24I 4/m30.937; 30.937; 31.2314
90; 90; 90
29891.5Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei
Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra.
Chemical science, 2023, 14, 9543-9552
1572218 CIFC42 H6 F20 N4 O2 S2I 4/m12.3899; 12.3899; 27.31
90; 90; 90
4192.35Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long
More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.
Chemical science, 2024, 15, 13841-13852
1572507 CIFBa5 Co4 Gd8 O21I 4/m13.8982; 13.8982; 5.7651
90; 90; 90
1113.59Urushihara, D.; Maruyama, M.; Fukuda, K.; Asaka, T.
Synthesis and structural characterization of gadolinium barium cobalt oxide Gd8Ba5Co4O21 with CoO5 square pyramids
Journal of the Ceramic Society of Japan, 2024, 132, 252-256
1572581 CIFAg30 O184 P8 W48I 4/m32.2143; 32.2143; 27.1465
90; 90; 90
28171.6Yanai, Daiki; Yonesato, Kentaro; Kikkawa, Soichi; Yamazoe, Seiji; Yamaguchi, Kazuya; Suzuki, Kosuke
Electronic state modulation of Ag<sub>30</sub> nanoclusters within a ring-shaped polyoxometalate.
Nanoscale, 2024, 16, 18383-18388
1572714 CIFC16 H26 Ag2 N4 O13I 4/m11.321; 11.321; 9.154
90; 90; 90
1173.2Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.
Chemical science, 2024, 15, 18067-18075
1572715 CIFC16 H24 Ag Cs N4 O12I 4/m11.3504; 11.3504; 8.7443
90; 90; 90
1126.54Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.
Chemical science, 2024, 15, 18067-18075
1572718 CIFC32 H48 Ag2 N8 O24 Rb2I 4/m11.3963; 11.3963; 8.5069
90; 90; 90
1104.84Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.
Chemical science, 2024, 15, 18067-18075
1572719 CIFC2 H3 Ag0.12 K0.12 N0.5 O1.5I 4/m11.554; 11.554; 8.42
90; 90; 90
1124Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.
Chemical science, 2024, 15, 18067-18075
1574420 CIFC325 H377 Ag4 Cl32 Cu28 P8 S16I 4/m26.5679; 26.5679; 23.7512
90; 90; 90
16764.9Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq
An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance.
Materials horizons, 2025, 12, 5252-5258
1575257 CIFNa24 O180 U24I 4/m19.719; 19.719; 22.155
90; 90; 90
8614.7Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z.
Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 13129-13142
1575396 CIFC108 H64 O44 Zr6I 4/m24.3152; 24.3152; 18.9359
90; 90; 90
11195.5Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars
On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker.
Chemical communications (Cambridge, England), 2025, 61, 14129-14132
1575537 CIFC176 H216 F84 N32 P16 Pd8I 4/m30.9423; 30.9423; 19.3961
90; 90; 90
18570.3Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar
Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.
Chemical science, 2025, 16, 17127-17138
2002535 CIFBa5 Mn4 Nd8 O21I 4/m14.2104; 14.2104; 5.8581
90; 90; 90
1183Mueller-Buschbaum, Hk; Kluever, E
Ein neues Oxometallat mit Mangan(II): Ba5 Mn4 Nd8 O21
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 612, 21-24

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