Crystallography Open Database

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4111374 CIFC47 H65 B Fe O0.5 P3C 1 2/c 138.9359; 24.277; 20.2369
90; 112.917; 90
17619David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners
Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes
Journal of the American Chemical Society, 2008, 130, 4166-4176
4111375 CIFC17 H18 FeP 1 21/n 110.6044; 7.4583; 16.4746
90; 95.097; 90
1297.84David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners
Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes
Journal of the American Chemical Society, 2008, 130, 4166-4176
4111376 CIFC16 H20 RuP 1 21/c 17.7045; 32.9298; 15.2583
90; 90.97; 90
3870.59David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners
Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes
Journal of the American Chemical Society, 2008, 130, 4166-4176
4121938 CIFC15 H18 Cl N OP 1 21 18.852; 9.106; 9.389
90; 113.263; 90
695.3Curran, Dennis P.; Guthrie, David B.; Geib, Steven J.
How do analogous alpha-chloroenamides and alpha-iodoenamides give different product distributions in 5-endo radical cyclizations?
Journal of the American Chemical Society, 2008, 130, 8437-8445
4123999 CIFH6 O9 Si Ti2P 111.0342; 11.0342; 11.8797
90; 90; 90
1446.4Celestian, A.J.; Kubicki, J.D.; Parise, J.B.; Clearfield, A.; Hanson, J.
The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate
Journal of the American Chemical Society, 2008, 130, 11689-11694
4124000 CIFCs H3 O8 Si Ti2P 111.0342; 11.0342; 11.8797
90; 90; 90
1446.4Celestian, A.J.; Kubicki, J.D.; Hanson, J.; Parise, J.B.; Clearfield, A.
The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate
Journal of the American Chemical Society, 2008, 130, 11689-11694
4124013 CIFD Ga Ge SrP 3 m 14.2221; 4.2221; 4.9691
90; 90; 120
76.712Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124014 CIFBa D Ga SiP 3 m 14.2776; 4.2776; 5.1948
90; 90; 120
82.319Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124015 CIFBa D Ga GeP 3 m 14.3344; 4.3344; 5.1895
90; 90; 120
84.433Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124016 CIFBa D Ga SnP 3 m 14.559; 4.559; 5.298
90; 90; 120
95.363Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124017 CIFCa Ga H SiP 3 m 14.0911; 4.0911; 4.7628
90; 90; 120
69.036Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124018 CIFCa Ga Ge HP 3 m 14.1509; 4.1509; 4.7995
90; 90; 120
71.616Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124019 CIFCa Ga H SnP 3 m 14.3852; 4.3852; 4.9679
90; 90; 120
82.734Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124020 CIFGa H Si SrP 3 m 14.1881; 4.1881; 5.0025
90; 90; 120
75.989Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124021 CIFGa Ge H SrP 3 m 14.2502; 4.2502; 5.0207
90; 90; 120
78.544Evans, M.J.; Haeussermann, U.; Holland, G.P.; Garcia-Garcia, F.J.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124022 CIFGa H Sn SrP 3 m 14.4829; 4.4829; 5.1912
90; 90; 120
90.348Evans, M.J.; Haeussermann, U.; Garcia-Garcia, F.J.; Holland, G.P.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124023 CIFBa Ga H SiP 3 m 14.3015; 4.3015; 5.2703
90; 90; 120
84.451Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124024 CIFBa Ga Ge HP 3 m 14.3758; 4.3758; 5.2687
90; 90; 120
87.367Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124025 CIFBa Ga H SnP 3 m 14.5914; 4.5914; 5.4257
90; 90; 120
99.055Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J.
Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn)
Journal of the American Chemical Society, 2008, 130, 12139-12147
4124085 CIFC6 Ag3 Fe N6P -3 1 m6.7172; 6.7172; 7.5196
90; 90; 120
293.834Goodwin, A.L.; Keen, D.A.; Dove, M.T.; Tucker, M.G.; Peters, L.; Evans, J.S.O.
Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues
Journal of the American Chemical Society, 2008, 130, 9660-9661
4124086 CIFC6 Co D3 N6P -3 1 m6.41294; 6.41294; 5.71973
90; 90; 120
203.714Goodwin, A.L.; Dove, M.T.; Tucker, M.G.; Keen, D.A.; Evans, J.S.O.; Peters, L.
Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues
Journal of the American Chemical Society, 2008, 130, 9660-9661
4124094 CIFGa5.76 H19.872 K5.76 O41.936 Si10.24I 41/a :210.0668; 10.0668; 9.6466
90; 90; 90
977.591Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.
Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology
Journal of the American Chemical Society, 2008, 130, 2842-2850
4124095 CIFGa5.76 H19.328 K5.76 O41.664 Si10.24I 41/a :210.0517; 10.0517; 9.6148
90; 90; 90
971.447Lee Yongjae; Kim Sun Jin; Vogt, T.; Kao Chichang
Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology
Journal of the American Chemical Society, 2008, 130, 2842-2850
4124096 CIFGa5.76 H23.168 K5.76 O43.584 Si10.24I 41/a :210.0548; 10.0548; 9.5433
90; 90; 90
964.818Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.
Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology
Journal of the American Chemical Society, 2008, 130, 2842-2850
4124097 CIFGa5.76 H23.808 K5.76 O43.904 Si10.24I 41/a :210.0835; 10.0835; 9.4084
90; 90; 90
956.618Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.
Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology
Journal of the American Chemical Society, 2008, 130, 2842-2850
4124098 CIFGa5.76 H23.84 K5.76 O43.92 Si10.24I 41/a :210.0741; 10.0741; 9.3033
90; 90; 90
944.169Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.
Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology
Journal of the American Chemical Society, 2008, 130, 2842-2850
4124099 CIFGa5.76 H24.736 K5.76 O44.368 Si10.24I 41/a :210.0621; 10.0621; 9.2185
90; 90; 90
933.335Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T.
Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology
Journal of the American Chemical Society, 2008, 130, 2842-2850
4124104 CIFSm2 Te4.9P 14.3392; 4.3483; 21.8438
90; 95.679; 90
410.129Malliakas, C.D.; Iavarone, M.; Fedor, J.; Kanatzidis, M.G.
Coexistence and coupling of two distinct charge density waves in Sm2 Te5
Journal of the American Chemical Society, 2008, 130, 3310-3312
4124111 CIFFe O2 SrP 4/m m m3.99107; 3.99107; 3.47481
90; 90; 90
55.349Tassel, C.; Watanabe, T.; Tsujimoto, Y.; Takano, M.; Kitada, A.; Sumida, Y.; Hayashi, N.; Yoshimura, K.; Yamamoto, T.; Kageyama, H.
Stability of the infinite layer structure with iron square planar coordination
Journal of the American Chemical Society, 2008, 130, 3764-3765
4124112 CIFCa0.2 Fe O2 Sr0.8P 4/m m m3.95638; 3.95638; 3.42098
90; 90; 90
53.548Tassel, C.; Watanabe, T.; Hayashi, N.; Tsujimoto, Y.; Kitada, A.; Kageyama, H.; Yoshimura, K.; Yamamoto, T.; Sumida, Y.; Takano, M.
Stability of the infinite layer structure with iron square planar coordination
Journal of the American Chemical Society, 2008, 130, 3764-3765
4124113 CIFCa0.4 Fe O2 Sr0.6P 4/m m m3.9578; 3.9578; 3.38003
90; 90; 90
52.945Tassel, C.; Watanabe, T.; Tsujimoto, Y.; Hayashi, N.; Kitada, A.; Sumida, Y.; Yamamoto, T.; Takano, M.; Kageyama, H.; Yoshimura, K.
Stability of the infinite layer structure with iron square planar coordination
Journal of the American Chemical Society, 2008, 130, 3764-3765
4124114 CIFCa0.8 Fe O2 Sr0.2P 4/m m m3.9028; 3.9028; 3.29132
90; 90; 90
50.133Tassel, C.; Sumida, Y.; Tsujimoto, Y.; Watanabe, T.; Kitada, A.; Hayashi, N.; Kageyama, H.; Yoshimura, K.; Yamamoto, T.; Takano, M.
Stability of the infinite layer structure with iron square planar coordination
Journal of the American Chemical Society, 2008, 130, 3764-3765
4124115 CIFCa Fe O2P 4/m m m3.89079; 3.89079; 3.35433
90; 90; 90
50.779Tassel, C.; Watanabe, T.; Sumida, Y.; Hayashi, N.; Takano, M.; Tsujimoto, Y.; Kitada, A.; Yamamoto, T.; Kageyama, H.; Yoshimura, K.
Stability of the infinite layer structure with iron square planar coordination
Journal of the American Chemical Society, 2008, 130, 3764-3765
4124119 CIFBe F2C 1 2/c 16.97192; 12.02685; 6.96194
90; 120.02; 90
505.449Zwijnenburg, M.A.; Bell, R.G.; Cora, F.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4124120 CIFBe F2P -4 3 n8.529749; 8.529749; 8.529749
90; 90; 90
620.596Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4124121 CIFBe F2R -3 m :H13.1285; 13.1285; 14.42939
90; 90; 120
2153.82Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4124122 CIFBe Cl2I -4 3 m19.79146; 19.79146; 19.79146
90; 90; 90
7752.35Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4124123 CIFBe Cl2P 3211.51593; 11.51593; 8.400845
90; 90; 120
964.832Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4124124 CIFBe Cl2P -4 3 n9.845269; 9.845269; 9.845269
90; 90; 90
954.295Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4125324 CIFC23 H41 Cu N5 O10C 1 2 119.2665; 4.8848; 30.5146
90; 92.5; 90
2869.1Mantion, Alexandre; Massüger, Lars; Rabu, Pierre; Palivan, Cornelia; McCusker, Lynne B.; Taubert, Andreas
Metal‒Peptide Frameworks (MPFs): “Bioinspired” Metal Organic Frameworks
Journal of the American Chemical Society, 2008, 130, 2517-2526
5000232 CIFCa2 O7 Si2 ZnP -4 21 m7.8279; 7.8279; 5.0138
90; 90; 90
307.2Louisnathan, S J
Refinemente of the crystal structure of Hardystonite, Ca2 Zn Si2 O7
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 427-437
6000726 CIFLi3 N4 Nb Sr2P n n m8.713; 9.007; 7.006
90; 90; 90
549.82Chen, X. Z.; Eick, H. A.
Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)
Journal of Solid State Chemistry, 1997, 130, 1-8
6000727 CIFLi3 N4 Sr2 TaP n n m8.7; 9.004; 7
90; 90; 90
548.34Chen, X. Z.; Eick, H. A.
Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)
Journal of Solid State Chemistry, 1997, 130, 1-8
8103720 CIFAl6.4 Ca2.96 H30 O63 Si17.6C 1 2 19.04; 17.75; 9.08
90; 111.83; 90
1352.5Slaughter, M.; Kane, W.T.
The crystal structure of disordered epistibite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 68-87
8104229 CIFAl2.06 Ca1.03 H7.74 O19.87 Si5.94P 1 c 16.73; 13.96; 10.02
90; 111.5; 90
875.883Leimer, H.W.; Slaughter, M.
The determination and refinement of the crystal structure of yugawaralite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 88-111
9008178 CIFCa0.1 F Fe0.25 Mg0.7 Mn0.95 O4 PI 1 2/a 112.065; 6.454; 9.937
90; 107.093; 90
739.591Waldrop, L.
The crystal structure of triplite, (Mn,Fe)2FPO4
Zeitschrift fur Kristallographie, 1969, 130, 1-14
9008179 CIFAs2 Pb2 S5P 1 21 17.9; 25.74; 8.37
90; 90.35; 90
1701.97Ribar, B.; Nicca, C.; Nowacki, W.
Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20
Zeitschrift fur Kristallographie, 1969, 130, 15-40
9008180 CIFGe Mn O3P b c a19.267; 9.248; 5.477
90; 90; 90
975.899Fang, J. H.; Townes, W. D.; Robinson, P. D.
The crystal structure of manganese metagermanate, MnGeO3 Note: x coordinate of O6 altered to a reasonable value
Zeitschrift fur Kristallographie, 1969, 130, 139-147
9008181 CIFK O12 P3 Zr2R -3 c :H8.71; 8.71; 23.89
90; 90; 120
1569.58Sljukic, M.; Matkovic, B.; Prodic, B.; Anderson, D.
The crystal structure of KZr2(PO4)3
Zeitschrift fur Kristallographie, 1969, 130, 148-161
9008182 CIFCa O3 SiP -16.695; 9.257; 6.666
86.5; 76.133; 70.383
377.723Trojer, F. J.
The crystal structure of a high pressure polymorph of CaSiO3 Note: high-pressure polymorph of wollastonite synthesized at 6.5 GPa, 1300 C
Zeitschrift fur Kristallographie, 1969, 130, 185-206
9008183 CIFAs2 Cu O8 Zn2P -15.09; 6.75; 5.3
111; 112.5; 86
156.58Calvo, C.; Leung, K. Y.
Refinement of the structure of stranskiite Note: cell parameters after Plieth and Sanger (1967)
Zeitschrift fur Kristallographie, 1969, 130, 231-233
9008184 CIFAs Cu Pb S3P n 21 m8.081; 8.747; 7.636
90; 90; 90
539.747Takeuchi, Y.; Haga, N.
On the crystal structures of seligmannite, PbCuAsS3, and related minerals
Zeitschrift fur Kristallographie, 1969, 130, 254-260
9008185 CIFH8 O12 P2 Zn3P -15.768; 7.55; 5.276
93.417; 91.183; 91.367
229.232Chao, G. Y.
Refinement of the crystal structure of parahopeite
Zeitschrift fur Kristallographie, 1969, 130, 261-266
9008186 CIFAl Li O6 Si2P 43 21 27.534; 7.543; 9.158
90; 90; 90
520.44Clarke, P. T.; Spink, J. M.
The crystal structure of beta spodumene, LiAlSi2O6-II
Zeitschrift fur Kristallographie, 1969, 130, 420-426
9008187 CIFCa2 O7 Si2 ZnP -4 21 m7.8279; 7.8279; 5.0138
90; 90; 90
307.226Louisnathan, S. J.
Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7
Zeitschrift fur Kristallographie, 1969, 130, 427-437
9008188 CIFBa2 O8 Si2 TiP 4 b m8.518; 8.518; 5.211
90; 90; 90
378.091Moore, P. B.; Louisnathan, S. J.
The crystal structure of fresnoite, Ba2(TiO)Si2O7 Positive polarity
Zeitschrift fur Kristallographie, 1969, 130, 438-448
9008189 CIFBa2 O8 Si2 TiP 4 b m8.518; 8.518; 5.211
90; 90; 90
378.091Moore, P. B.; Louisnathan, S. J.
The crystal structure of fresnoite, Ba2(TiO)Si2O7 Negative polarity
Zeitschrift fur Kristallographie, 1969, 130, 438-448
9013439 CIFCa2.572 H4 Na0.856 O13.42 S3C 1 2 112.089; 6.903; 6.3537
90; 90.089; 90
530.218Freyer, D.; Reck, G.; Bremer, M.; Voigt, W.
Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: subcell
Monatshefte fur Chemie, 1999, 130, 1179-1193
9013440 CIFCa2.572 H4 Na0.858 O13.442 S3C 1 2 124.1781; 13.805; 12.7074
90; 90.089; 90
4241.45Freyer, D.; Reck, G.; Bremer, M.; Voigt, W.
Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: supercell
Monatshefte fur Chemie, 1999, 130, 1179-1193
9015426 CIFCa0.99 F Fe0.31 Mn0.33 Na1.25 Nb0.09 O8 Si2 Ti0.26 Zr0.73P 1 21/a 110.54; 9.9; 7.14
90; 108.2; 90
707.758Simonov, V. I.; Belov, N. V.
Crystal structure of lavenite
Doklady Akademii Nauk SSSR, 1960, 130, 1333-1336
9017498 CIFO2P 63/m m c2.561; 2.561; 6.575
90; 90; 120
37.346Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M.
On the structure of high-pressure high-temperature eta-O2
Journal of Chemical Physics, 2009, 130

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