Crystallography Open Database

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4323071 CIFC12 H24 Ag I7 S6R -3 m :R9.458; 9.458; 9.458
103.79; 103.79; 103.79
757.9Alexander J. Blake; Robert O. Gould; Wan-Sheung Li; Vito Lippolis; Simon Parsons; Christian Radek; Martin Schröder
Silver-Thioether Crown Complexes as Templates for the Synthesis of Extended Polyiodide Networks: Synthesis and X-ray Crystal Structures of [Ag2([15]aneS5)2]I12, [Ag([18]aneS6)]I7, [Ag([18]aneS6)]I3, and [Ag([9]aneS3)2]I5
Inorganic Chemistry, 1998, 37, 5070-5077
4347519 CIFC150 H141 B6 N18 O40 Zn10R -3 m :R27.75; 27.75; 27.75
70.755; 70.755; 70.755
18453Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay
Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.
Inorganic chemistry, 2016, 55, 4006-4015
7051480 CIFC30 H64 O11 Ti3R -3 m :R12.5797; 12.5797; 12.5797
91.644; 91.644; 91.644
1988.2New Journal of Chemistry, 1999
7102741 CIFAl3.39 Ca1.54 K0.32 Kr0.53 Na0.1 O24.52 Si8.61R -3 m :R9.3086; 9.3086; 9.3086
91.638; 91.638; 91.638
805.58Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L
The dynamic desorption of krypton from the zeolite chabazite.
Chemical communications (Cambridge, England), 2004, 2796-2797
7102742 CIFAl3.39 Ca1.54 K0.32 Kr1.06 Na0.1 O24.52 Si8.61R -3 m :R9.2935; 9.2935; 9.2935
91.604; 91.604; 91.604
801.71Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L
The dynamic desorption of krypton from the zeolite chabazite.
Chemical communications (Cambridge, England), 2004, 2796-2797
7102743 CIFAl3.39 Ca1.54 K0.32 Kr1.05 Na0.1 O24.52 Si8.61R -3 m :R9.2833; 9.2833; 9.2833
91.617; 91.617; 91.617
799.06Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L
The dynamic desorption of krypton from the zeolite chabazite.
Chemical communications (Cambridge, England), 2004, 2796-2797
7102744 CIFAl3.39 Ca1.54 K0.32 Kr0.87 Na0.1 O24.52 Si8.61R -3 m :R9.2943; 9.2943; 9.2943
91.625; 91.625; 91.625
801.89Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L
The dynamic desorption of krypton from the zeolite chabazite.
Chemical communications (Cambridge, England), 2004, 2796-2797
7102745 CIFAl3.39 Ca1.54 K0.32 Kr1.15 Na0.1 O24.52 Si8.61R -3 m :R9.2743; 9.2743; 9.2743
91.597; 91.597; 91.597
796.76Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L
The dynamic desorption of krypton from the zeolite chabazite.
Chemical communications (Cambridge, England), 2004, 2796-2797
7209342 CIFAg In S2R -3 m :R6.81; 6.81; 6.81
32.05; 32.05; 32.05
79.024Keubler, M.; Range, K.J.; Weiss, A.
Eine Hochdruckmodifikation des Ag In S2 mit alpha-Na Fe O2-Struktur
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1969, 24, 1060-1061
7209602 CIFC24 H12 Cu2 N2 O12R -3 m :R20.3883; 20.3883; 20.3883
54.956; 54.956; 54.956
5289.3Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng
Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture
CrystEngComm, 2013, 15, 3517
7221270 CIFCo3 In2 S2R -3 m :R5.4931; 5.4931; 5.4931
57.89; 57.89; 57.89
111.527Zabel, M.; Range, K.J.; Wandinger, S.
Ternaere Chalkogenide M3 M2(II) X2 mit Shandit-Struktur
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1979, 34, 238-241
7222900 CIFIn S2 TlR -3 m :R7.73; 7.73; 7.73
28.6; 28.6; 28.6
93.561Range, K.J.; Mueller, W.; Engert, G.; Weiss, A.
Hochdrucksynthese und Kristallstrukturen von Tl In S2 -II und Tl In S2 -III
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1974, 29, 181-185
8103545 CIFO3.597 Sr UR -3 m :R6.587; 6.587; 6.587
35.3; 35.3; 35.3
85.255Fujino, T.; Masaki, N.; Tagawa, H.
The crystal structures of alpha and gamma Sr U O4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979), 1977, 145, 299-309
8103546 CIFO3.777 Sr UR -3 m :R6.542; 6.542; 6.542
35.54; 35.54; 35.54
84.545Fujino, T.; Masaki, N.; Tagawa, H.
The crystal structures of alpha and gamma Sr U O4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979), 1977, 145, 299-309
8103716 CIFO8 P2 Sr3R -3 m :R7.28; 7.28; 7.28
43.35; 43.35; 43.35
164.91Redden, M.J.; Buerger, M.J.
Note on the symmetry and cell of calcium orthovanadate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 129, 459-460
8103717 CIFBa3 O8 P2R -3 m :R7.696; 7.696; 7.696
42.58; 42.58; 42.58
188.988Redden, M.J.; Buerger, M.J.
Note on the symmetry and cell of calcium orthovanadate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 129, 459-460
8104483 CIFCr F3 H6 O3R -3 m :R5.668; 5.668; 5.668
112.5; 112.5; 112.5
121.957Herbstein, F.H.; Kapon, M.; Reisner, G.M.
Crystal structures of chromium(III) fluoride trihydrate and chromium(III) fluoride pentahydrate. Structural chemistry of hydrated transition metal fluorides. Thermal decomposition of chromium(III) fluoride nonahydrate
Zeitschrift fuer Kristallographie (149,1979-), 1985, 171, 209-224
9000015 CIFCu Fe O2R -3 m :R5.96; 5.96; 5.96
29.43; 29.43; 29.43
45.238Pabst, A.
Crystal structure and density of delafossite
American Mineralogist, 1938, 23, 175-176
9000032 CIFAl3 H6 O14 P S SrR -3 m :R6.89; 6.89; 6.89
60.63; 60.63; 60.63
234.573Pabst, A.
Some computations on svanbergite, woodhouseite and alunite trial C
American Mineralogist, 1947, 32, 16-30
9000033 CIFAl3 Ca H6 O14 P SR -3 m :R6.75; 6.75; 6.75
62.07; 62.07; 62.07
227.532Pabst, A.
Some computations on svanbergite, woodhouseite and alunite
American Mineralogist, 1947, 32, 16-30
9000034 CIFAl3 H6 K O14 S2R -3 m :R7.058; 7.058; 7.058
59.08; 59.08; 59.08
243.402Pabst, A.
Some computations on svanbergite, woodhouseite and alunite
American Mineralogist, 1947, 32, 16-30
9000048 CIFNi3 Pb2 S2R -3 m :R5.576; 5.576; 5.576
60; 60; 60
122.59Peacock, M. A.; McAndrew, J.
On parkerite and shandite and the crystal structure of Ni3Pb2S2
American Mineralogist, 1950, 35, 425-439
9000079 CIFCu17 S9R -3 m :R16.16; 16.16; 16.16
13.93; 13.93; 13.93
212.849Donnay, G.; Donnay, J. D. H.; Kullerud, G.
Crystal and twin structure of digenite, Cu9S5
American Mineralogist, 1958, 43, 228-242
9000553 CIFC8 H Al2 B8 Ca24 Cl Mg8 O81 Si8R -3 m :R18.131; 18.131; 18.131
33.46; 33.46; 33.46
1613.62Giuseppetti, G.; Mazzi, F.; Tadini, C.
The crystal structure of harkerite
American Mineralogist, 1977, 62, 263-272
9000741 CIFAl7.45 Fe1.4 H O16 Sn Zn0.7R -3 m :R18.826; 18.826; 18.826
17.508; 17.508; 17.508
527.034Grey, I. E.; Gatehouse, B. M.
The crystal structure of nigerite-24R
American Mineralogist, 1979, 64, 1255-1264
9007677 CIFAs3 Ni8.499 O16R -3 m :R9.8105; 9.8105; 9.8105
35.312; 35.312; 35.312
281.837Fleet, M. E.; Barbier, J.
Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series
Acta Crystallographica, Section B, 1989, 45, 201-205
9007678 CIFGe3 Mg5.467 Ni4.533 O16R -3 m :R10.125; 10.125; 10.125
33.79; 33.79; 33.79
286.075Fleet, M. E.; Barbier, J.
Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series
Acta Crystallographica, Section B, 1989, 45, 201-205
9008024 CIFNa SR -3 m :R3.986; 3.986; 3.986
68.08; 68.08; 68.08
52.452West, C. D.
The crystal structures of some alkali hydrosulfides and monosulfides
Zeitschrift fur Kristallographie, 1934, 88, 97-115
9008025 CIFRb SR -3 m :R4.534; 4.534; 4.534
69.33; 69.33; 69.33
78.767West, C. D.
The crystal structures of some alkali hydrosulfides and monosulfides
Zeitschrift fur Kristallographie, 1934, 88, 97-115
9008192 CIFBa3 O8 V2R -3 m :R7.837; 7.837; 7.837
43.14; 43.14; 43.14
204.048Susse, P.; Buerger, M. J.
The struture of of Ba3(VO4)2
Zeitschrift fur Kristallographie, 1970, 131, 161-174
9008574 CIFAsR -3 m :R4.131; 4.131; 4.131
54.167; 54.167; 54.167
43.061Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 7-83
9008575 CIFSbR -3 m :R4.50661; 4.50661; 4.50661
57.108; 57.108; 57.108
60.406Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 7-83
9008576 CIFBiR -3 m :R4.7459; 4.7459; 4.7459
57.237; 57.237; 57.237
70.776Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 7-83
9009305 CIFAl3.156 Ca1.01 K0.164 Na0.226 O24 Si8.844R -3 m :R9.4012; 9.4012; 9.4012
94.364; 94.364; 94.364
823.285Mazzi, F.; Galli, E.
The tetrahedral framework of chabazite Note: Occupancies invented to match formula and refinement Sample: C 1a, trigonal refinement
Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 461-480
9009307 CIFAl4.056 Ca0.581 K0.269 Na0.84 O24 Si7.944R -3 m :R9.4376; 9.4376; 9.4376
94.137; 94.137; 94.137
833.685Mazzi, F.; Galli, E.
The tetrahedral framework of chabazite Note: Occupancies invented to match formula and refinement Sample: C 4a, trigonal refinement
Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 461-480
9009541 CIFMn Na6 O18 Si6 TiR -3 m :R7.31; 7.31; 7.31
88.11; 88.11; 88.11
389.994Voronkov, A. A.; Pudovkina, Z. V.; Blinov, V. A.; Ilyukhin, V. V.; Pyatenko, Y. A.
Crystal structure of kazakovite Na6Mn{Ti[Si6O18]}
Doklady Akademii Nauk SSSR, 1979, 245, 106-109
9009552 CIFBa Ca7 F3 Na5 O24 P6R -3 m :R14.366; 14.366; 14.366
28.58; 28.58; 28.58
599.786Sokolova, E. V.; Yamnova, N. A.; Egorov-Tismenko Y K; Khomyakov, A. P.
The crystal structure of a new phosphate of Na,Ca and Ba: (Na5Ca)Ca6Ba(PO4)6F3
Doklady Akademii Nauk SSSR, 1984, 274, 78-83
9009661 CIFAl3.48 Ca1.74 H70 O42.15 Si8.52R -3 m :R9.39692; 9.39692; 9.39692
93.866; 93.866; 93.866
823.834Gualtieri, A. F.
Accuracy of XRPD QPA using the combined Rietveld-RIR method
Journal of Applied Crystallography, 2000, 33, 267-278
9010735 CIFAl3.48 Ca1.2 H70 K0.78 O35.16 Si8.52R -3 m :R9.38749; 9.38749; 9.38749
94.379; 94.379; 94.379
819.634Gualtieri, A. F.; Passaglia, E.
Rietveld structure refinement of NH4-exchanged natural chabazite
European Journal of Mineralogy, 2006, 18, 351-359
9010736 CIFAl3.48 Ca0.05 H74 K0.05 N2 O33.66 Si8.52R -3 m :R9.41709; 9.41709; 9.41709
94.678; 94.678; 94.678
826.291Gualtieri, A. F.; Passaglia, E.
Rietveld structure refinement of NH4-exchanged natural chabazite
European Journal of Mineralogy, 2006, 18, 351-359
9011022 CIFAg Bi Se2R -3 m :R7.022; 7.022; 7.022
34.5; 34.5; 34.5
99.098Geller, S.; Wernick, J. H.
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 240 C
Acta Crystallographica, 1959, 12, 46-54
9011109 CIFB35R -3 m :R10.17; 10.17; 10.17
65.12; 65.12; 65.12
826.857Geist, D.; Kloss, R.; Follner, H.
Verfeinerung des beta-rhomboedrischen bors
Acta Crystallographica, Section B, 1970, 26, 1800-1802
9012317 CIFH2 Ni O2R -3 m :R7.93; 7.93; 7.93
22.32; 22.32; 22.32
63.077Glemser, O.; Einerhand, J.
Die struktur hoherer nickelhydroxyde
Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 43-51
9012319 CIFH Ni O2R -3 m :R7.07; 7.07; 7.07
23; 23; 23
47.352Glemser, O.; Einerhand, J.
Die struktur hoherer nickelhydroxyde
Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 43-51
9012420 CIFBi2 S Te2R -3 m :R10.31; 10.31; 10.31
24.17; 24.17; 24.17
161.469Lange, P. W.
Ein Vergleich zwischen Bi2Te3 und Bi2Te2S
Naturwissenschaften, 1939, 27, 133-134
9013158 CIFSb SnR -3 m :R6.124; 6.124; 6.124
89.38; 89.38; 89.38
229.631Hagg, G.; Hybinette, A. G.
X-ray studies on the systems of tin-antimony and tin-arsenic
The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, 1935, 20, 913-929
9014082 CIFAl3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34R -3 m :R9.428; 9.428; 9.428
94.14; 94.14; 94.14
831.133Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Natural chabazite
Zeolites, 1982, 2, 303-309
9014093 CIFAl3.72 H19.36 Na3.16 O33.68 Si8.28R -3 m :R9.425; 9.425; 9.425
94.06; 94.06; 94.06
830.61Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Na-exchanged
Zeolites, 1982, 2, 303-309
9014472 CIFAl3.6 Ca1.76 H19.74 O33.87 Si8.4R -3 m :R9.401; 9.401; 9.401
94.39; 94.39; 94.39
823.139Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Ca-exchanged
Zeolites, 1982, 2, 303-309
9014498 CIFSmR -3 m :R8.996; 8.996; 8.996
23.22; 23.22; 23.22
99.346Daane, A. H.; Rundle, R. E.; Smith, H. G.; Spedding, F. H.
The crystal structure of samarium Note: sample 99% pure
Acta Crystallographica, 1954, 7, 532-535
9014749 CIFAl3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688R -3 m :R9.382; 9.382; 9.382
94.57; 94.57; 94.57
817.498Passaglia, E.; Ferro, O.
Occurrence and crystal structure of magnesian chabazite
Studies in Surface Science and Catalysis, 2002, 142, 1729-1735
9014807 CIFAl3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291R -3 m :R9.421; 9.421; 9.421
94.2; 94.2; 94.2
829.077Calligaris, M.; Nardin, G.; Randaccio, L.
Cation-site location in a natural chabazite
Acta Crystallographica, Section B, 1982, 38, 602-605
9015212 CIFAl3.9 Ca1.95 H26 O37 Si8.1R -3 m :R9.42; 9.42; 9.42
94.28; 94.28; 94.28
828.533Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S.
Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature
Acta Crystallographica, 1963, 16, 45-53
9015866 CIFAl3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4R -3 m :R9.442; 9.442; 9.442
94.29; 94.29; 94.29
834.316Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: K-exchanged
Zeolites, 1982, 2, 303-309
9015905 CIFAl3.12 Ca0.348 H19.32 K0.52 Mg0.66 O33.66 Si8.88R -3 m :R9.3433; 9.3433; 9.3433
94.894; 94.894; 94.894
806.178Montagna, G.; Bigi, S.; Konya, P.; Szakall, S.; Vezzalini, G.
Chabazite-Mg: A new natural zeolite of the chabazite series
American Mineralogist, 2010, 95, 939-945
9015939 CIFAl3.396 Ca1.568 H24.942 Na0.492 O36.471 Si8.556R -3 m :R9.3943; 9.3943; 9.3943
94.369; 94.369; 94.369
821.455Nakatsuka, A.; Okada, H.; Fujiwara, K.; Nakayama, N.; Mizota, T.
Crystallographic configurations of water molecules and exchangeable cations in a hydrated natural CHA-zeolite (chabazite)
Microporous and Mesoporous Materials, 2007, 102, 188-195
9016278 CIFAl0.32 O2 Si0.68R -3 m :R9.4; 9.4; 9.4
94.3; 94.3; 94.3
823.197Dent, L. S.; Smith, J. V.
Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located
Nature, 1958, 181, 1794-1796
9016306 CIFAl3.6 H20.8 O34.4 Si8.4 Sr2.03R -3 m :R9.416; 9.416; 9.416
93.87; 93.87; 93.87
828.85Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Sr-exchanged
Zeolites, 1982, 2, 303-309
9016799 CIFAl Ca F14 Mg3 Na3R -3 m :R7.1756; 7.1756; 7.1756
59.867; 59.867; 59.867
260.464Mumme, W. G.; Grey, I. E.; Birch, W. D.; Pring, A.; Bougerol, C.; Wilson, N. C.
Coulsellite, CaNa3AlMg3F14, a rhombohedral pyrochlore with 1:3 ordering in both A and B sites, from the Cleveland mine, Tasmania, Australia
American Mineralogist, 2010, 95, 736-740

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