Crystallography Open Database

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4104763 CIFC65 H24 In8 N36 O50P m -3 n20.195; 20.195; 20.195
90; 90; 90
8236Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi
Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies
Journal of the American Chemical Society, 2009, 131, 10394-10396
4109354 CIFK6.95 Si46P m -3 n10.278; 10.278; 10.278
90; 90; 90
1085.74Bodo Böhme; Arnold Guloy; Zhongjia Tang; Walter Schnelle; Ulrich Burkhardt; Michael Baitinger; Yuri Grin
Oxidation of M4Si4 (M = Na, K) to Clathrates by HCl or H2O
Journal of the American Chemical Society, 2007, 129, 5348-5349
4109355 CIFNa6.19 Si46P m -3 n10.199; 10.199; 10.199
90; 90; 90
1060.9Bodo Böhme; Arnold Guloy; Zhongjia Tang; Walter Schnelle; Ulrich Burkhardt; Michael Baitinger; Yuri Grin
Oxidation of M4Si4 (M = Na, K) to Clathrates by HCl or H2O
Journal of the American Chemical Society, 2007, 129, 5348-5349
4112809 CIFC8 H124 O46P m -3 n11.877; 11.877; 11.877
90; 90; 90
1675.4Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman
Gas Hydrate Single-Crystal Structure Analyses
Journal of the American Chemical Society, 2004, 126, 9407-9412
4112810 CIFC14.2 H60.2 O46P m -3 n11.895; 11.895; 11.895
90; 90; 90
1683Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman
Gas Hydrate Single-Crystal Structure Analyses
Journal of the American Chemical Society, 2004, 126, 9407-9412
4117309 CIFC72 H145 B3 Co20 F12 N12 O73P m -3 n19.2247; 19.2247; 19.2247
90; 90; 90
7105.2Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou
Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry
Journal of the American Chemical Society, 2012, 134, 852-854
4117310 CIFC72 H127 B3 F12 N12 Ni20 O64P m -3 n18.9569; 18.9569; 18.9569
90; 90; 90
6812.43Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou
Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry
Journal of the American Chemical Society, 2012, 134, 852-854
4121824 CIFNa4 Si23P m -3 n10.2004; 10.2004; 10.2004
90; 90; 90
1061.33Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei
High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.
Journal of the American Chemical Society, 2014, 136, 7717-7725
4123983 CIFSn Ta3P m -3 n5.276; 5.276; 5.276
90; 90; 90
146.864Geller, S.; Goldstein, R.; Matthias, B.T.
Some new intermetallic compounds with the beta.-wolfram structure
Journal of the American Chemical Society, 1955, 77, 1502-1504
4124452 CIFF6 H16.34 O7.67 PP m -3 n11.774; 11.774; 11.774
90; 90; 90
1632.19Mootz, D.; Oellers, E.J.; Wiebcke, M.
First examples of type I clathrate hydrates of strong acids: Polyhydrates of hexafluorophosphoric, tetrafluoroboric, and perchloric acid
Journal of the American Chemical Society, 1987, 109, 1200-1202
4124630 CIFGe Nb3P m -3 n5.168; 5.168; 5.168
90; 90; 90
138.028Carpenter, J.H.; Searcy, A.W.
Preparation, Identification and Chemical Properties of the Niobium Germanides
Journal of the American Chemical Society, 1956, 78, 2079-2081
4124664 CIFIr Nb3P m -3 n5.131; 5.131; 5.131
90; 90; 90
135.085Geller, S.; Matthias, B.T.; Goldstein, R.
Some new intermetallic compounds with the beta-wolfram structure
Journal of the American Chemical Society, 1955, 77, 1502-1504
4124665 CIFNb3 OsP m -3 n5.121; 5.121; 5.121
90; 90; 90
134.296Geller, S.; Goldstein, R.; Matthias, B.T.
Some new intermetallic compounds with the beta-wolfram structure
Journal of the American Chemical Society, 1955, 77, 1502-1504
4125327 CIFC366 H192 O66 Zr13P m -3 n48.842; 48.842; 48.842
90; 90; 90
116515Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian
Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers
Journal of the American Chemical Society, 2016, 138, 8380-8383
4125328 CIFC360 H96 B6 F84 O57 Zr13P m -3 n49.365; 49.365; 49.365
90; 90; 90
120298Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian
Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers
Journal of the American Chemical Society, 2016, 138, 8380-8383
4129499 CIFC75 H48 Al3 Cl O16P m -3 n35.934; 35.934; 35.934
90; 90; 90
46399.9Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed
MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.
Journal of the American Chemical Society, 2015, 137, 13308-13318
4129500 CIFC75 H45 Al3 Cl O16P m -3 n35.7316; 35.7316; 35.7316
90; 90; 90
45620.2Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed
MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.
Journal of the American Chemical Society, 2015, 137, 13308-13318
4130788 CIFC1.17 H0.53 O0.24 Zr0.05P m -3 n41.512; 41.512; 41.512
90; 90; 90
71535Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin
Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.
Journal of the American Chemical Society, 2016, 138, 12234-12242
4130789 CIFC2.17 O0.45 Zr0.09P m -3 n41.616; 41.616; 41.616
90; 90; 90
72074Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin
Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.
Journal of the American Chemical Society, 2016, 138, 12234-12242
4130790 CIFC1.25 Hf0.05 O0.26P m -3 n41.516; 41.516; 41.516
90; 90; 90
71556Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin
Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.
Journal of the American Chemical Society, 2016, 138, 12234-12242
4132634 CIFC132 H64 O27 Zr6P m -3 n40.561; 40.561; 40.561
90; 90; 90
66731Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.
Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 8958-8964
4132637 CIFC132 H64 O27 Zr6P m -3 n41.367; 41.367; 41.367
90; 90; 90
70788Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.
Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 8958-8964
4307632 CIFAl14.1 Ba7.72 Eu0.28 Si30.64P m -3 n10.6306; 10.6306; 10.6306
90; 90; 90
1201.4Cathie L. Condron; Susan M. Kauzlarich; G. S. Nolas
Structure and Thermoelectric Characterization of AxBa8-xAl14Si31 (A = Sr, Eu) Single Crystals
Inorganic Chemistry, 2007, 46, 2556-2562
4307633 CIFAl14.1 Ba7.33 Si30.64 Sr0.67P m -3 n10.5962; 10.5962; 10.5962
90; 90; 90
1189.7Cathie L. Condron; Susan M. Kauzlarich; G. S. Nolas
Structure and Thermoelectric Characterization of AxBa8-xAl14Si31 (A = Sr, Eu) Single Crystals
Inorganic Chemistry, 2007, 46, 2556-2562
4310101 CIFAs22 Cu4.7 I8 Sn19.3P m -3 n11.172; 11.172; 11.172
90; 90; 90
1394.4Kirill A. Kovnir; Alexei V. Sobolev; Igor A. Presniakov; Oleg I. Lebedev; Gustaaf Van Tendeloo; Walter Schnelle; Yuri Grin; Andrei V. Shevelkov
Sn19.3Cu4.7As22I8: a New Clathrate-I Compound with Transition-Metal Atoms in the Cationic Framework
Inorganic Chemistry, 2005, 44, 8786-8793
4310974 CIFBr2.35 I5.65 P19.2 Sn24P m -3 n10.92; 10.92; 10.92
90; 90; 90
1302.2Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310975 CIFBr3.14 I4.86 P19.11 Sn24P m -3 n10.911; 10.911; 10.911
90; 90; 90
1299Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310976 CIFBr4.62 I3.38 P19.22 Sn24P m -3 n10.886; 10.886; 10.886
90; 90; 90
1290Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310977 CIFBr6.05 I1.95 P19.1 Sn24P m -3 n10.844; 10.844; 10.844
90; 90; 90
1275.2Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310978 CIFBr8 P19.6 Sn24P m -3 n10.8123; 10.8123; 10.8123
90; 90; 90
1264.02Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310979 CIFBr8 P19.6 Sn24P m -3 n10.8108; 10.8108; 10.8108
90; 90; 90
1263.49Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310980 CIFBr0.5 P1.23 Sn1.5P m -3 n10.8098; 10.8098; 10.8098
90; 90; 90
1263.14Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310981 CIFBr8 P19.6 Sn24P m -3 n10.8074; 10.8074; 10.8074
90; 90; 90
1262.3Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310982 CIFBr8 P19.6 Sn24P m -3 n10.8067; 10.8067; 10.8067
90; 90; 90
1262.06Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310983 CIFBr8 P19.6 Sn24P m -3 n10.806; 10.806; 10.806
90; 90; 90
1261.81Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310984 CIFBr8 P19.6 Sn24P m -3 n10.8027; 10.8027; 10.8027
90; 90; 90
1260.66Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310985 CIFBr8 P19.6 Sn24P m -3 n10.8004; 10.8004; 10.8004
90; 90; 90
1259.85Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310986 CIFBr8 P19.6 Sn24P m -3 n10.7987; 10.7987; 10.7987
90; 90; 90
1259.26Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310987 CIFBr8 P19.6 Sn24P m -3 n10.7967; 10.7967; 10.7967
90; 90; 90
1258.56Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310988 CIFBr8 P19.6 Sn24P m -3 n10.7945; 10.7945; 10.7945
90; 90; 90
1257.79Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4310989 CIFBr8 P19.6 Sn24P m -3 n10.79; 10.79; 10.79
90; 90; 90
1256.22Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
Inorganic Chemistry, 2004, 43, 3230-3236
4313537 CIFBa6.63 Si46P m -3 n10.2652; 10.2652; 10.2652
90; 90; 90
1081.69Hiroshi Fukuoka; Junichi Kiyoto; Shoji Yamanaka
Superconductivity of Metal Deficient Silicon Clathrate Compounds, Ba8-xSi46 (0 < x <= 1.4)
Inorganic Chemistry, 2003, 42, 2933-2937
4313538 CIFBa7.76 Si46P m -3 n10.3141; 10.3141; 10.3141
90; 90; 90
1097.22Hiroshi Fukuoka; Junichi Kiyoto; Shoji Yamanaka
Superconductivity of Metal Deficient Silicon Clathrate Compounds, Ba8-xSi46 (0 < x <= 1.4)
Inorganic Chemistry, 2003, 42, 2933-2937
4315791 CIF
HKL
Na4 Si23P m -3 n10.1982; 10.1982; 10.1982
90; 90; 90
1060.65Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas
Framework Contraction in Na-Stuffed Si(cF136)
Inorganic Chemistry, 2010, 49, 5338-5340
4315792 CIF
HKL
Na4 Si23P m -3 n10.1959; 10.1959; 10.1959
90; 90; 90
1059.93Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas
Framework Contraction in Na-Stuffed Si(cF136)
Inorganic Chemistry, 2010, 49, 5338-5340
4315793 CIF
HKL
Na4 Si23P m -3 n10.2015; 10.2015; 10.2015
90; 90; 90
1061.68Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas
Framework Contraction in Na-Stuffed Si(cF136)
Inorganic Chemistry, 2010, 49, 5338-5340
4315795 CIF
HKL
Na4 Si23P m -3 n10.1891; 10.1891; 10.1891
90; 90; 90
1057.81Matt Beekman; Emmanuel N. Nenghabi; Koushik Biswas; Charles W. Myles; Michael Baitinger; Yuri Grin; George S. Nolas
Framework Contraction in Na-Stuffed Si(cF136)
Inorganic Chemistry, 2010, 49, 5338-5340
4322165 CIFI8 P19.29 Sn24P m -3 n10.954; 10.954; 10.954
90; 90; 90
1314.4Mikhail M. Shatruk; Kirill A. Kovnir; Andrei V. Shevelkov; Igor A. Presniakov; Boris A. Popovkin
First Tin Pnictide Halides Sn24P19.3I8 and Sn24As19.3I8: Synthesis and the Clathrate-I Type of the Crystal Structure
Inorganic Chemistry, 1999, 38, 3455-3457
4325072 CIFBa6.18 Si46P m -3 n10.2568; 10.2568; 10.2568
90; 90; 90
1079.04Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin
Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions
Inorganic Chemistry, 2011, 50, 4523-4528
4325073 CIFBa6.2 Si46P m -3 n10.2606; 10.2606; 10.2606
90; 90; 90
1080.24Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin
Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions
Inorganic Chemistry, 2011, 50, 4523-4528

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