Crystallography Open Database

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9017269 CIFCr Na O6 Si2C 1 2/c 19.197; 8.327; 5.0572
90; 106.23; 90
371.863Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.5 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017270 CIFCr Na O6 Si2C 1 2/c 19.084; 8.077; 4.9544
90; 105.7; 90
349.95Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 31.3 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017271 CIFCr Na O6 Si2C 1 2/c 19.076; 7.971; 4.9309
90; 105.56; 90
343.651Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 35.3 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017272 CIFCr Na O6 Si2C 1 2/c 19.011; 7.918; 4.8955
90; 105.1; 90
337.229Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 40.2 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017273 CIFAl Na O6 Si2C 1 2/c 19.368; 8.539; 5.1975
90; 107.44; 90
396.653Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 1.9 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017274 CIFAl Na O6 Si2C 1 2/c 19.3; 8.447; 5.157
90; 107.14; 90
387.127Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 5.6 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017275 CIFAl Na O6 Si2C 1 2/c 19.243; 8.407; 5.122
90; 106.85; 90
380.922Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 8.2 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017276 CIFAl Na O6 Si2C 1 2/c 19.163; 8.34; 5.0739
90; 106.52; 90
371.739Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 12.4 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017277 CIFAl Na O6 Si2C 1 2/c 19.082; 8.2; 5.02
90; 106.12; 90
359.152Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.3 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017278 CIFAl Na O6 Si2C 1 2/c 19.034; 8.184; 4.9875
90; 106.02; 90
354.427Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 21.5 GPa
Physics and Chemistry of Minerals, 2014, 41, 695-707
9017279 CIFCa O4 SB m m b7.03276; 7.02381; 6.32712
90; 90; 90
312.539Xu, H.; Guo, X.; Bai, J.
Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K
Physics and Chemistry of Minerals, 2017, 44, 125-135
9017280 CIFAs28 Ca16 F0.941 Fe7.536 Mn2 O84 Ti6P n -3 :215.9507; 15.9507; 15.9507
90; 90; 90
4058.25Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.
On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xray final province, Italy
Physics and Chemistry of Minerals, 2018, 45, 819-829
9017281 CIFAs28 Ca16 F Fe7.278 Mn1.94 O84 Ti5.31P n -3 :215.9507; 15.9507; 15.9507
90; 90; 90
4058.25Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.
On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: neutron diffraction province, Italy
Physics and Chemistry of Minerals, 2018, 45, 819-829
9017282 CIFAs28 Ca16 F0.969 Fe7.506 Mn2 O84 Ti6P n -3 :215.9507; 15.9507; 15.9507
90; 90; 90
4058.25Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.
On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xraysplit final province, Italy
Physics and Chemistry of Minerals, 2018, 45, 819-829
9017283 CIFAs1.628 Cu5 H8 O15 P0.372 ZnP 1 21/c 112.385; 9.261; 10.77
90; 97.1; 90
1225.82Krivovichev, S. V.; Zhitova, E. S.; Ismagilova, R. M.; Zolotarev, A. A.
Site-selective As-P substitution and hydrogen bonding in the crystal structure of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O Note: T = 100 K
Physics and Chemistry of Minerals, 2018, 45, 917-923
9017284 CIFFe3 H17 K5 O35 S6P 1 21/c 19.448; 18.3183; 17.9825
90; 92.274; 90
3109.8Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the ß-Maus's salt and its dehydration product Note: T = 100 K
Physics and Chemistry of Minerals, 2020, 47
9017285 CIFFe3 H8 K5 O31.52 S6P 1 21/c 19.3434; 18.1838; 17.7702
90; 96.381; 90
3000.43Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt and its dehydration product Note: this is the dehydration product
Physics and Chemistry of Minerals, 2020, 47
9017286 CIFBi6 O15 Te2P n m a10.637; 22.797; 5.4136
90; 90; 90
1312.75Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.
Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite
Physics and Chemistry of Minerals, 2020, 47
9017287 CIFBi5 O16 TeP n m a10.61155; 22.74458; 5.399038
90; 90; 90
1303.09Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.
Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite
Physics and Chemistry of Minerals, 2020, 47
9017288 CIFAl0.98 K O8 Si3.02C 1 2/m 18.5616; 12.9962; 7.1934
90; 116.015; 90
719.3Jones, J. B.; Taylor, W. H.
The structure of orthoclase
Acta Crystallographica, 1961, 14, 443-456
9017290 CIFAl K O8 Si3C 1 2/m 18.48; 12.97; 7.18
90; 115.98; 90
709.895Ribbe, P. H.
A refinement of the crystal structure of sanidinised orthoclase Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983
Acta Crystallographica, 1963, 16, 426-427
9017291 CIFH20 N2 Ni O14 S2P 1 21/a 19.241; 12.554; 6.243
90; 106.97; 90
692.724Montgomery, H.; Lingafelter, E. C.
The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate
Acta Crystallographica, 1964, 17, 1478-1479
9017292 CIFH20 Mg N2 O14 S2P 1 21/a 19.383; 12.669; 6.22
90; 107.05; 90
706.895Montgomery, H.; Lingafelter, E. C.
The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate
Acta Crystallographica, 1964, 17, 1478-1479
9017293 CIFO2 SiC 2 2 21 (a,b,c+1/4)8.74; 5.04; 8.24
90; 90; 90
362.969Dollase, W. A.
The crystal structure at 220 C of orthothombic high tridymite from the Steinbach meteorite Note: T = 220 C
Acta Crystallographica, 1967, 23, 617-623
9017294 CIFH16 Mg N O10 PP m n 216.941; 6.137; 11.199
90; 90; 90
477.043Whitaker, A.; Jeffery, J. W.
The crystal structure of struvite, MgNH4PO4*6H2O
Acta Crystallographica, Section B, 1970, 26, 1429-1440
9017295 CIFCa Cl2 O4P -16.593; 6.364; 8.557
97.77; 93.52; 110.56
330.776Thewalt, U.; Bugg, C. E.
Crystal structure of calcium chloride tetrahydrate
Acta Crystallographica, Section B, 1973, 29, 615-617
9017296 CIFH6 O8 S VP 1 21/c 17.411; 7.439; 12.272
90; 108.9; 90
640.084Theobald, F.; Galy, J.
Structure cristalline de VOSO4((H2O)3 Note: polymorph of bobjonesite
Acta Crystallographica, Section B, 1973, 29, 2732-2736
9017297 CIFCa O4 SB m m b6.992; 6.999; 6.24
90; 90; 90
305.367Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S.
Anhydrite: a refinement
Acta Crystallographica, Section B, 1975, 31, 2164-2165
9017298 CIFO2 SiC 1 c 118.494; 4.991; 25.832
90; 117.75; 90
2110.15Kato, V. K.; Nukui, A.
Die kristallstruktur des monoklinen tief-tridymits
Acta Crystallographica, Section B, 1976, 32, 2486-2491
9017299 CIFAl0.94 K0.871 Na0.12 O8 Rb0.008 Si3.06C -18.567; 12.98; 7.2
90.07; 116.03; 89.75
719.417Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P17C
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017300 CIFAl0.95 Ba0.006 Ca0.005 K0.904 Na0.085 O8 Si3.05C -18.564; 12.984; 7.201
90.13; 116.02; 89.53
719.53Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample A1D
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017301 CIFAl0.99 K0.94 Na0.06 O8 Si3.01C -18.56; 12.984; 7.209
90.28; 116.03; 89.03
719.851Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1B
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017302 CIFAl0.95 K0.94 Na0.06 O8 Si3.05C -18.574; 12.962; 7.21
90.35; 116.03; 88.8
719.85Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P1C
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017303 CIFAl0.99 K0.92 Na0.08 O8 Si3.01C -18.567; 12.97; 7.221
90.43; 116; 88.48
720.89Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample RC20C
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017304 CIFAl1.01 K0.94 Na0.06 O8 Si2.99C -18.561; 12.972; 7.223
90.56; 115.93; 87.92
720.894Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1E
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017305 CIFAl1.01 K0.94 Na0.06 O8 Si2.99C -18.589; 13.013; 7.197
90; 116.02; 90
722.866Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2B
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017306 CIFAl0.97 Ba0.005 Ca0.009 K0.931 Na0.055 O8 Si3.03C -18.583; 12.988; 7.202
90; 116.05; 90
721.29Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2A
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017307 CIFAl1.005 Ba0.01 Ca0.01 K0.88 Na0.1 O8 Si2.995C -18.563; 12.99; 7.21
90; 115.93; 90
721.255Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1A
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017308 CIFH Na3 O8 S2P 1 21/c 18.648; 9.648; 9.143
90; 108.77; 90
722.284Catti, M.; Ferraris, G.; Ivaldi, G.
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 and S-OH vs O-H...O correlation
Acta Crystallographica, Section B, 1979, 35, 525-529
9017310 CIFFe H6 O6 SP 1 21/n 16.604; 8.693; 8.714
90; 96.05; 90
497.472Johansson, L. G.; Lindqvist, O.
The crystal structure of iron(II) sulfite trihydrate, a-FeSO3.3H2O
Acta Crystallographica, Section B, 1979, 35, 1017-1020
9017311 CIFCl4 K2 ZnP n a 2126.778; 12.402; 7.256
90; 90; 90
2409.72Mikhail, I.; Peters, K.
The structure of potassium tetrachlorozincate
Acta Crystallographica, Section B, 1979, 35, 1200-1201
9017312 CIFCa O4 SA m m a7.006; 6.998; 6.245
90; 90; 90
306.18Kirfel, A.; Will, G.
Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements
Acta Crystallographica, Section B, 1980, 36, 2881-2890
9017313 CIFCa H4 O6 SI 1 2/c 15.679; 15.202; 6.522
90; 118.43; 90
495.153Pedersen, B. F.; Semmingsen, D.
Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O
Acta Crystallographica, Section B, 1982, 38, 1074-1077
9017314 CIFBeP 63/m m c2.2853; 2.2853; 3.5842
90; 90; 120
16.211Larsen, F. K.; Hansen, N. K.
Diffraction study of the electron density distribution in beryllium metal
Acta Crystallographica, Section B, 1984, 40, 169-179
9017315 CIFH16 Mg N O10 PP m n 216.955; 6.142; 11.218
90; 90; 90
479.206Abbona, F.; Calleri, M.; Ivaldi, G.
Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms
Acta Crystallographica, Section B, 1984, 40, 223-227
9017316 CIFC H4 N2 OP -4 21 m5.584; 5.584; 4.689
90; 90; 90
146.208Swaminathan, S.; Craven, B. M.
The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K
Acta Crystallographica, Section B, 1984, 40, 300-306
9017317 CIFC H4 N2 OP -4 21 m5.57; 5.57; 4.688
90; 90; 90
145.445Swaminathan, S.; Craven, B. M.
The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K
Acta Crystallographica, Section B, 1984, 40, 300-306
9017318 CIFC H4 N2 OP -4 21 m5.565; 5.565; 4.684
90; 90; 90
145.06Swaminathan, S.; Craven, B. M.
The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K
Acta Crystallographica, Section B, 1984, 40, 300-306
9017319 CIFF3 LaP -3 c 17.185; 7.185; 7.351
90; 90; 120
328.648Zalkin, A.; Templeton, D. H.
Refinement of the trigonal structure of lanthanum trifluoride with neutron diffraction data Note: neutron data
Acta Crystallographica, Section B, 1985, 41, 91-93
9017320 CIFC14 H10P 1 21 18.441; 6.14; 9.438
90; 97.96; 90
484.437Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B.
Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K
Acta Crystallographica, Section B, 1990, 46, 830-832

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