Crystallography Open Database

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7053784 CIFC64 H102 O17R -3 :R21.5048; 21.5048; 21.5048
91.042; 91.042; 91.042
9940Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W.
Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes
New Journal of Chemistry, 2009, 33, 1563
7054241 CIFC25 H19 N O2R -3 :R18.949; 18.949; 18.949
117.25; 117.25; 117.25
2879Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G.
Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials
New Journal of Chemistry, 2003, 27, 1059
7104061 CIFC198 H290 N12 O86 P12R -3 :R19.175; 19.175; 19.175
106.039; 106.039; 106.039
6019.1Coleman, Anthony W.; Silva, Eric Da; Nouar, Farid; Nierlich, Martine; Navaza, Alda
The structure of a self-assembled calixarene aqua-channel system
Chemical Communications (Cambridge, United Kingdom), 2003, 826-827
7204583 CIFC44 H8.67 F20 N4 O0.33 PtR -3 :R14.2727; 14.2727; 14.2727
88.309; 88.309; 88.309
2903.8Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue
[meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(ii) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodesElectronic supplementary information available: details of photoluminescence measurements, transient absorption spectra of PtF20TPP, photophysical properties of PtF20TPP in different solvents, EL spectra and performances of OLEDs using PtF20TPP as emitters at various doping levels and crystallographic data for PtF20TPP. See http://www.rsc.org/suppdata/jm/b2/b212204a/
Journal of Materials Chemistry, 2003, 13, 1362
7206325 CIFC12 H66 As2 N12 O72 W18 Zn6R -3 :R13.175; 13.175; 13.175
104; 104; 104
2040.5Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping
A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)
CrystEngComm, 2011, 13, 4834
7234492 CIFC18 H12 Br15 Mo6 Se12R -3 :R11.0988; 11.0988; 11.0988
102.058; 102.058; 102.058
1261.12Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Journal of Materials Chemistry C, 2015, 3, 11046-11054
7234493 CIFC18 H12 Br15 Mo6 Se12R -3 :R11.1579; 11.1579; 11.1579
101.8; 101.8; 101.8
1286.32Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Journal of Materials Chemistry C, 2015, 3, 11046-11054
7234495 CIFC18 H12 Cl15 Mo6 Se12R -3 :R10.8505; 10.8505; 10.8505
102.632; 102.632; 102.632
1167.76Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Journal of Materials Chemistry C, 2015, 3, 11046-11054
7234496 CIFC18 H12 Cl15 Mo6 Se12R -3 :R10.908; 10.908; 10.908
102.348; 102.348; 102.348
1191.82Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Journal of Materials Chemistry C, 2015, 3, 11046-11054
7234497 CIFC18 H12 Br15 Mo6 S12R -3 :R10.8797; 10.8797; 10.8797
101.159; 101.159; 101.159
1203.35Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Journal of Materials Chemistry C, 2015, 3, 11046-11054
7234498 CIFC18 H12 Br15 Mo6 S12R -3 :R10.9429; 10.9429; 10.9429
100.915; 100.915; 100.915
1228.45Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Journal of Materials Chemistry C, 2015, 3, 11046-11054
7705397 CIFC36.16 H38.32 Cl0.32 Cu N2 O4R -3 :R21.012; 21.012; 21.012
115.759; 115.759; 115.759
4814Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.
Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 12990-13002
9000195 CIFH36 Mg7 Na12 O67 S13R -3 :R11.769; 11.769; 11.769
106.5; 106.5; 106.5
1375.67Fang, J. H.; Robinson, P. D.
Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of loeweite
American Mineralogist, 1970, 55, 378-386
9000524 CIFCe0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602R -3 :R9.148; 9.148; 9.148
69.078; 69.078; 69.078
644.398Grey, I. E.; Lloyd, D. J.; White, J. S.
The structure of crichtonite and its relationship to senaite
American Mineralogist, 1976, 61, 1203-1212
9000598 CIFAl0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58R -3 :R9.117; 9.117; 9.117
69.07; 69.07; 69.07
637.788Gatehouse, B. M.; Grey, I. E.; Campbell, I. H.; Kelly, P. R.
The crystal structure of loveringite - a new member of the crichtonite group
American Mineralogist, 1978, 63, 28-36
9000736 CIFCa0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3R -3 :R9.19; 9.19; 9.19
68.73; 68.73; 68.73
649.693Gatehouse, B. M.; Grey, I. E.; Kelly, P. R.
The crystal structure of davidite
American Mineralogist, 1979, 64, 1010-1017
9001873 CIFBa0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3R -3 :R9.197; 9.197; 9.197
68.75; 68.75; 68.75
651.388Orlandi, P.; Pasero, M.; Duchi, G.; Olmi, F.
Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group from Buca della Vena mine, Tuscany, Italy
American Mineralogist, 1997, 82, 807-811
9001948 CIFNa8 O18 Si7R -3 :R7.18; 7.18; 7.18
87.26; 87.26; 87.26
368.916Fleet, M. E.
Sodium heptasilicate: A high-pressure silicate with six-membered rings of tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18])
American Mineralogist, 1998, 83, 618-624
9004125 CIFFe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2R -3 :R9.152; 9.152; 9.152
68.99; 68.99; 68.99
644.342Grey, I. E.; Gatehouse, B. M.
The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38
The Canadian Mineralogist, 1978, 16, 63-68
9005642 CIFCe0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48R -3 :R9.186; 9.186; 9.186
68.82; 68.82; 68.82
649.784Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y.
Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy
European Journal of Mineralogy, 2004, 16, 171-175
9007057 CIFCu H2 O4 SiR -3 :R8.819; 8.819; 8.819
111.7; 111.7; 111.7
479.521Belokoneva, E. L.; Gubina, Y. K.; Forsyth, J. B.; Brown, P. J.
The charge-density distribution, its multipole refinement and the antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O
Physics and Chemistry of Minerals, 2002, 29, 430-438
9007734 CIFEu Mo6 S8R -3 :R6.5378; 6.5378; 6.5378
88.809; 88.809; 88.809
279.265Kubel, F.; Yvon, K.
Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 112 K
Acta Crystallographica, Section C, 1990, 46, 181-186
9007736 CIFBa Mo6 S8R -3 :R6.6441; 6.6441; 6.6441
88.562; 88.562; 88.562
293.025Kubel, F.; Yvon, K.
Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K
Acta Crystallographica, Section C, 1990, 46, 181-186
9008043 CIFBi2 S Te2R -3 :R10.33; 10.33; 10.33
24.17; 24.17; 24.17
162.41Harker, D.
The crystal structure of the mineral tetradymite, Bi2Te2S
Zeitschrift fur Kristallographie, 1934, 89, 175-181
9008098 CIFAs I3R -3 :R8.269; 8.269; 8.269
51.683; 51.683; 51.685
321.561Trotter, J.
The crystal structure of arsenic triiodide, AsI3
Zeitschrift fur Kristallographie, 1965, 121, 81-86
9008145 CIFRh3 Se8R -3 :R5.9648; 5.9648; 5.9648
90.73; 90.73; 90.73
212.169Hohnke, D.; Parthe, E.
The crystal structure of pyrite-related Rh3Se8
Zeitschrift fur Kristallographie, 1968, 127, 164-172
9009770 CIFFe OR -3 :R6.132; 6.132; 6.132
59.34; 59.34; 59.34
160.589Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.
On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Three-Phase Mixture FeO, T = 12 K
Journal of Solid State Chemistry, 1996, 124, 52-57
9009771 CIFFe0.925 OR -3 :R6.073; 6.073; 6.073
59.92; 59.92; 59.92
158.091Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.
On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Single-Phase Fe0.925O, T = 12 K
Journal of Solid State Chemistry, 1996, 124, 52-57
9009955 CIFAl2 H4 Na1.862 O13.667 Si4R -3 :R11.909; 11.909; 11.909
109.51; 109.51; 109.51
1298.31Yokomori, Y.; Idaka, S.
The crystal structure of analcime
Microporous and Mesoporous Materials, 1998, 21, 365-370
9010496 CIFAl6 Ca1.617 K1.842 O24 Si6R -3 :R9.411; 9.411; 9.411
91.48; 91.48; 91.48
832.654Fischer, R. X.; Kahlenberg, V.; Lengauer, C. L.; Tillmanns, E.
Thermal behavior and structural transformation in the chabazite-type zeolite willhendersonite, KCaAl3Si3O12*5H2O Note: T = 423K
American Mineralogist, 2008, 93, 1317-1325
9011164 CIFFe6.34 Mn O38 Pb0.83 Ti13.66R -3 :R9.172; 9.172; 9.172
69.02; 69.02; 69.02
648.885Grey, I. E.; Lloyd, D. J.
The crystal structure of senaite
Acta Crystallographica, Section B, 1976, 32, 1509-1513
9011341 CIFBa0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7R -3 :R9.119; 9.119; 9.119
69.24; 69.24; 69.24
639.924Gatehouse, B. M.; Grey, I. E.; Smyth, J. R.
Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa
Acta Crystallographica, Section C, 1983, 39, 421-422
9014631 CIFGe O4 Zn2R -3 :R8.836; 8.836; 8.836
107.7; 107.7; 107.7
563.199Hang, C.; Simonov, M. A.; Belov, N. V.
Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]
Soviet Physics Crystallography, 1970, 15, 387-390
9014765 CIFO4 Si Zn2R -3 :R8.628; 8.628; 8.628
107.87; 107.87; 107.87
521.689Hang, C.; Simonov, M. A.; Belov, N. V.
Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]
Soviet Physics Crystallography, 1970, 15, 387-390
9015045 CIFH2 OR -3 :R7.78; 7.78; 7.78
113.1; 113.1; 113.1
304.25Kamb, B.
Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa
Acta Crystallographica, 1964, 17, 1437-1449

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