Crystallography Open Database

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9011278 CIFAu Te2C 1 2/m 17.189; 4.407; 5.069
90; 89.96; 90
160.596Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011279 CIFAu Te2C 1 2/m 17.189; 4.407; 5.069
90; 89.96; 90
160.596Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011280 CIFAu Te2C 1 2/m 17.171; 4.385; 5.064
90; 90.04; 90
159.237Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011281 CIFAu Te2C 1 2/m 17.164; 4.371; 5.064
90; 90; 90
158.573Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011282 CIFAu Te2C 1 2/m 17.129; 4.314; 5.036
90; 90.15; 90
154.879Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011283 CIFAu Te2C 1 2/m 17.11; 4.29; 5.05
90; 90.3; 90
154.032Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011284 CIFAu Te2C 1 2/m 17.1; 4.286; 5.029
90; 90.3; 90
153.033Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011285 CIFAu Te2C 1 2/m 17.1; 4.221; 5.029
90; 90.4; 90
150.711Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011286 CIFAu Te2P -3 m 14.1; 4.1; 5.021
90; 90; 120
73.095Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011287 CIFAu Te2P -3 m 14.078; 4.078; 5
90; 90; 120
72.01Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa
Acta Crystallographica, Section B, 1993, 49, 6-11
9011288 CIFH12 Ni O10 SP 43 21 26.7778; 6.7778; 18.176
90; 90; 90
834.979Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.
Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD
Acta Crystallographica, Section B, 1993, 49, 192-201
9011289 CIFNi O10 SP 43 21 26.7778; 6.7778; 18.176
90; 90; 90
834.979Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.
Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement
Acta Crystallographica, Section B, 1993, 49, 192-201
9011290 CIFF6 K2 SiF m -3 m8.1419; 8.1419; 8.1419
90; 90; 90
539.731Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .9 angstroms
Acta Crystallographica, Section B, 1993, 49, 967-973
9011291 CIFF6 K2 SiF m -3 m8.1419; 8.1419; 8.1419
90; 90; 90
539.731Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .7 angstroms
Acta Crystallographica, Section B, 1993, 49, 967-973
9011292 CIFF6 K2 SiF m -3 m8.1419; 8.1419; 8.1419
90; 90; 90
539.731Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: Mo K-alpha
Acta Crystallographica, Section B, 1993, 49, 967-973
9011293 CIFCl6 K2 PdF m -3 m8.1419; 8.1419; 8.1419
90; 90; 90
539.731Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
Acta Crystallographica, Section B, 1993, 49, 967-973
9011296 CIFFe4 H2 K2 Mg2 Na2 O15 Si4 TiP 110.37; 23.129; 5.322
90; 99.55; 90
1258.78Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y.
Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia
Acta Crystallographica, Section B, 1998, 54, 109-114
9011298 CIFH34 O40 U8P b c n14.6861; 13.9799; 16.7063
90; 90; 90
3429.97Weller, M. T.; Light, M. E.; Gelbrich, T.
Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite (UO2)4O(OH)6*5H2O Sample: T = 150 K
Acta Crystallographica, Section B, 2000, 56, 577-583
9011299 CIFAl3 H21.52 N2.38 Na0.26 O20.64 Si5P 1 21/m 110.0507; 14.2016; 8.7281
90; 125.123; 90
1018.97Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1
Acta Crystallographica, Section B, 2000, 56, 584-593
9011300 CIFAl2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8P 1 21/m 110.0122; 14.1943; 8.7284
90; 125.024; 90
1015.82Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2
Acta Crystallographica, Section B, 2000, 56, 584-593
9011301 CIFAl1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1P 1 21/m 19.9596; 14.2015; 8.7051
90; 124.99; 90
1008.71Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3
Acta Crystallographica, Section B, 2000, 56, 584-593
9011304 CIFC Na2 O3C 1 2/m 18.92; 5.245; 6.05
90; 101.35; 90
277.516Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V.
Sodium carbonate revisited Sample: Gamma phase, T = 295 K
Acta Crystallographica, Section B, 2003, 59, 337-352
9011305 CIFC Na2 O3C 1 2/m 18.898; 5.237; 5.996
90; 101.87; 90
273.432Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V.
Sodium carbonate revisited Sample: Delta phase, T = 110 K
Acta Crystallographica, Section B, 2003, 59, 337-352
9011308 CIFAg12.226 As1.192 Cu3.772 S11 Sb0.808P -3 m 17.389; 7.389; 11.816
90; 90; 120
558.692Bindi, L.; Evain, M.; Menchetti, S.
Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 15 K
Acta Crystallographica, Section B, 2006, 62, 212-219
9011309 CIFAg13.646 As1.179 Cu2.966 S11 Sb0.821P -3 m 17.3721; 7.3721; 11.8104
90; 90; 120
555.876Bindi, L.; Evain, M.; Menchetti, S.
Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 120 K
Acta Crystallographica, Section B, 2006, 62, 212-219
9011310 CIFAg13.032 As1.18 Cu2.968 S11 Sb0.82P -3 m 17.3876; 7.3876; 11.8882
90; 90; 120
561.893Bindi, L.; Evain, M.; Menchetti, S.
Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 300 K
Acta Crystallographica, Section B, 2006, 62, 212-219
9011311 CIFNa O3.5 Si1.5C 1 2/c 120.416; 6.4987; 4.9294
90; 90.26; 90
654.014Kruger, H.; Kahlenberg, V.; Friese, K.
Na2Si3O7: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal
Acta Crystallographica, Section B, 2006, 62, 440-446
9011312 CIFAg29.629 Cu2.371 S22 Sb4C 1 2/c 126.188; 15.1199; 23.784
90; 90; 90
9417.51Evain, M.; Bindi, L.; Menchetti, S.
Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 100 K Sample: polytype 222
Acta Crystallographica, Section B, 2006, 62, 447-456
9011313 CIFAg29.04 Cu2.96 S22 Sb4P 3 2 115.0954; 15.0954; 11.8825
90; 90; 120
2344.92Evain, M.; Bindi, L.; Menchetti, S.
Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221
Acta Crystallographica, Section B, 2006, 62, 447-456
9011314 CIFH2 Ni O2P -3 m 13.12; 3.12; 4.61
90; 90; 120
38.863Ramesh, T. N.; Kamath, P. V.; Shivakumara, C.
Classification of stacking faults and their stepwise elemination during the disorder -> order transformation of nickel hydroxide
Acta Crystallographica, Section B, 2006, 62, 530-536
9011315 CIFCa2 Co0.9 O7 Si2 Zn0.1P -423.518; 23.518; 5.0263
90; 90; 90
2780.03Jia, Z. H.; Schaper, A. K.; Massa, W.; Treutmann, W.; Rager, H.
Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
9011317 CIF
Paper
Ag16.08 As0.34 Cu1.84 S8.34 Sb1.66 Se2.66P -3 m 17.595; 7.595; 12.0731
90; 90; 120
603.122Evain, M.; Bindi, L.; Menchetti, S.
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~]
Acta Crystallographica Section B, 2006, 62, 768-774
9011318 CIF
Paper
Ag14.691 Cu1.309 S8.37 Sb2 Se2.63P 1 21/c 113.1426; 7.5879; 23.729
90; 90; 90
2366.37Evain, M.; Bindi, L.; Menchetti, S.
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~]
Acta Crystallographica Section B, 2006, 62, 768-774
9011319 CIFCu0.298 Pb0.95 S3.36 Sb0.408 Sn0.851C -13.6661; 6.3138; 11.9028
92.49; 90.59; 89.986
275.24Evain, M.; Petricek, V.; Moelo, Y.; Maurel, C.
First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Acta Crystallographica, Section B, 2006, 62, 775-789
9011321 CIFCl2 Cu3 H6 Mg O6P -3 m 16.2733; 6.2733; 5.7472
90; 90; 120
195.875Malcherek, T.; Schluter, J.
Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond
Acta Crystallographica, Section B, 2007, 63, 157-160
9011322 CIFCl H6 Mg0.5 O2C m c m4.21616; 11.023; 7.2951
90; 90; 90
339.038Sugimoto, K.; Dinnebier, R. E.; Hanson, J. C.
Structures of three dehydration products of bischofite from in situ synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4)
Acta Crystallographica, Section B, 2007, 63, 235-242
9011338 CIFAl7 Ca6 O16.348I -4 3 d12.0449; 12.0449; 12.0449
90; 90; 90
1747.47Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Sample: T = 1223 K
Acta Crystallographica, Section B, 2007, 63, 675-682
9011340 CIFD6 H4 N O9 P UP 4/n c c :27.0221; 7.0221; 18.0912
90; 90; 90
892.075Fitch, A. N.; Fender, B. E. F.
The structure of deuterated ammomium uranyl phosphate trihydrate, ND4UO2PO4*3D2O by powder neutron diffraction
Acta Crystallographica, Section C, 1983, 39, 162-166
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
9011342 CIFCu5 H10 O30 Pb2 Se6 U2P -111.955; 10.039; 5.639
89.78; 100.36; 91.34
665.556Ginderow, D.; Cesbron, F.
Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O Locality: Musoni, Kolwezi, Shaba, Zaire Note: anisoB's from ICSD
Acta Crystallographica, Section C, 1983, 39, 824-827
9011343 CIFBa N2 O6P a -38.1184; 8.1184; 8.1184
90; 90; 90
535.071Nowotny, H.; Heger, G.
Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic
Acta Crystallographica, Section C, 1983, 39, 952-956
9011344 CIFN2 O6 SrP a -37.7813; 7.7813; 7.7813
90; 90; 90
471.147Nowotny, H.; Heger, G.
Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic
Acta Crystallographica, Section C, 1983, 39, 952-956
9011345 CIFN2P 63/m m c3.595; 3.595; 5.845
90; 90; 120
65.42Schiferl, D.; Cromer, D. T.; Ryan, R. R.; Larson, A. C.; LeSar, R.; Mills, R. L.
Structure of N2 at 2.94 GPa and 300 K Sample: at T = 300 K and P = 2.94 GPa
Acta Crystallographica, Section C, 1983, 39, 1151-1153
9011346 CIFC8 H24 Ca Cu O14I 4/m11.152; 11.152; 16.24
90; 90; 90
2019.72Klop, E. A.; Duisenberg, A. J. M.; Spek, A. L.
Reinvestigation of the structure of calcium copper acetate hexahydrate, CaCu(C2H3O2)4*6H2O
Acta Crystallographica, Section C, 1983, 39, 1342-1344
9011347 CIFCa Na O4 PP n 21 a20.397; 5.412; 9.161
90; 90; 90
1011.27Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P.
Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic
Acta Crystallographica, Section C, 1983, 39, 1483-1485
9011348 CIFCu4 H6 O14 Se2 UP n 21 m5.57; 19.088; 5.965
90; 90; 90
634.2Ginderow, D.; Cesbron, F.
Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6 Note: anisoB's from ICSD
Acta Crystallographica, Section C, 1983, 39, 1605-1607
9011349 CIFCl O5.27 Sb4C 1 2/m 119.047; 4.053; 10.318
90; 110.25; 90
747.292Menchetti, S.; Sabelli, C.; Trosti-Ferroni R
The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD, corrected
Acta Crystallographica, Section C, 1984, 40, 1506-1510
9011350 CIFCl H9.04 O8.54 Sb4I m m m9.618; 13.148; 4.078
90; 90; 90
515.694Menchetti, S.; Sabelli, C.; Trosti-Ferroni R
The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD
Acta Crystallographica, Section C, 1984, 40, 1506-1510
9011351 CIFBi2 Mo O6P c a 215.4822; 16.1986; 5.5091
90; 90; 90
489.23Teller, R. G.; Brazdil, J. F.; Grasselli, R. K.; Jorgensen, J. D.
The structure of gamma-bismuth molybdate, Bi2MoO6, by powder neutron diffraction Locality: synthetic
Acta Crystallographica, Section C, 1984, 40, 2001-2005
9011352 CIFCl2 H12 Mg O6C 1 2/m 19.8607; 7.1071; 6.0737
90; 93.758; 90
424.736Agron, P. A.; Busing, W. R.
Magnesium dichloride hexahydrate, MgCl2*6H2O, by neutron diffraction
Acta Crystallographica, Section C, 1985, 41, 8-10

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