Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017255 | CIF | Fe2.44 H18 Mg0.06 Mn1.2 O23 P3 Zn1.166 | P m a b | 11.044; 25.431; 6.412 90; 90; 90 | 1800.87 | Grey, I. E.; Kampf, A. R.; Keck, E.; MacRae, C. M.; Cashion, J. D.; Gozukara, Y. Crystal chemistry of schoonerite-group minerals Note: sample ICG-14, T = 100 K European Journal of Mineralogy, 2018, 30, 621-634 |
| 9017256 | CIF | As2.86 Ca0.708 Fe3 Mn0.652 O19.928 P1.684 | I m m a | 26.188; 7.36; 10.367 90; 90; 90 | 1998.17 | Grey, I. E.; Mumme, W. G.; Hochleitner, R. Trimeric As3+3O6 clusters in walentaite: crystal structure and revised formula European Journal of Mineralogy, 2019, 31, 111-116 |
| 9017257 | CIF | Al0.04 Fe2.07 H19 Mg0.06 Mn1.53 O23 P3 Zn1.3 | P 1 21/m 1 | 6.307; 11.074; 13.085 90; 99.62; 90 | 901.054 | Kampf, A. R.; Grey, I. E.; MacRae, C. M.; Keck, E. Manganflurlite, ZnMn32+Fe3+(PO4)3(OH)2(H2O)7·2H2O, a new schoonerite-related mineral from the Hagendorf-Sud pegmatite Note: T = 100 K European Journal of Mineralogy, 2019, 31, 127-134 |
| 9017258 | CIF | Fe4.44 H5.88 Mn0.52 O17 P3 Zn0.04 | B b m m | 14.0016; 16.8593; 5.1831 90; 90; 90 | 1223.51 | Grey, I. E.; Kampf, A. R.; Keck, E.; Cashion, J. D.; MacRae, C. M.; Gozukara, Y.; Peterson, V. K.; Shanks, F. L. The rockbridgeite group approved and a new member, ferrorockbridgeite, (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O), described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria Note: neutron powder on sample IGC90 European Journal of Mineralogy, 2019, 31, 389-397 |
| 9017259 | CIF | Fe4.17 H5.78 Mn0.77 O17 P3 Zn0.06 | B b m m | 13.995; 16.884; 5.1866 90; 90; 90 | 1225.55 | Grey, I. E.; Kampf, A. R.; Keck, E.; Cashion, J. D.; MacRae, C. M.; Gozukara, Y.; Peterson, V. K.; Shanks, F. L. The rockbridgeite group approved and a new member, ferrorockbridgeite, (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O), described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria Note: X-ray single crystal on sample IGC29 Note: T = 100 K European Journal of Mineralogy, 2019, 31, 389-397 |
| 9017260 | CIF | Al0.02 Ba0.38 Ca0.04 Fe2.08 H3 Mn1.86 Na0.02 O15 P3 Sr0.6 | P 1 21/m 1 | 9.183; 12.349; 5.0081 90; 100.23; 90 | 558.894 | Elliott, P. Strontioperloffite, SrMn22+Fe32+PO43+OH3, a new bjarebyite-group mineral from the Spring Creek mine, South Australia, Australia European Journal of Mineralogy, 2019, 31, 549-555 |
| 9017261 | CIF | Fe3.85 H8.74 Mn3 O24.08 P4 | P 1 2/a 1 | 13.909; 5.186; 12.159 90; 98.88; 90 | 866.541 | Sejkora, J.; Grey, I. E.; Kampf, A. R. Kenngottite, Mn32+Fe43+(PO4)4(OH)6(H2O)2: a new phosphate mineral from Krasno near Horni Slavkov, Czech Republic Note: water and hydroxyl groups are not well located European Journal of Mineralogy, 2019, 31, 629-636 |
| 9017262 | CIF | Al1.96 Ca2 Fe0.1 H10 Mg0.06 Mn0.38 O20 P3 | C 1 2/c 1 | 10.021; 24.137; 6.226 90; 91.54; 90 | 1505.38 | Grey, I. E.; Kampf, A. R.; Smith, J. B.; MacRae, C. M.; Keck, E. Fanfaniite, Ca4Mn2+Al4(PO4)6(OH,F)4*12H2O, a new mineral with a montgomeryite-type structure European Journal of Mineralogy, 2019, 31, 647-652 |
| 9017263 | CIF | Al4 Ca3.091 Fe0.568 Mg0.14 Mn1.178 O40 P6 | P -1 | 20.067; 13.197; 6.255 89.35; 91.21; 112.2 | 1533.33 | Grey, I. E.; Kampf, A. R.; Smith, J. B.; Williams, T.; MacRae, C. M. The calcioferrite group approved and kingsmountite redefined Note: sample K5, T = 100 K European Journal of Mineralogy, 2019, 31, 1007-1014 |
| 9017264 | CIF | Bi0.01 Co1.932 Fe0.06 Ni Pb0.01 S4 | F d -3 m :2 | 9.3933; 9.3933; 9.3933 90; 90; 90 | 828.809 | Skacha, P.; Sejkora, J.; Plasil, J.; Dolnicek, Z.; Ulmanova, J. Grimmite, NiCo2S4, a new thiospinel from Pribram, Czech Republic European Journal of Mineralogy, 2021, 33, 175-187 |
| 9017265 | CIF | C2 H4 Fe O6 | C 1 2/c 1 | 12.011; 5.557; 9.92 90; 128.53; 90 | 517.958 | Echigo, T.; Kimata, M. Single-crystal X-ray diffraction and spectroscopic studies on humboldtine and lindbergite: weak Jahn-Teller effect of Fe2+ ion Physics and Chemistry of Minerals, 2008, 35, 467-475 |
| 9017266 | CIF | Al2 Be2 Cs0.717 Li Na0.121 O18 Si6 | R -3 c :H | 15.9615; 15.9615; 27.8568 90; 90; 120 | 6146.24 | Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E. A single-crystal neutron and X-ray diffraction of pezzottaite Note: X-ray data, T = 298 K Physics and Chemistry of Minerals, 2012, 39, 829-840 |
| 9017267 | CIF | Al2 Be2.078 Cs0.96 Li0.922 Na0.143 O18 Si6 | R -3 c :H | 15.95; 15.95; 27.86 90; 90; 120 | 6138.09 | Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E. A single-crystal neutron and X-ray diffraction of pezzottaite Note: Neutron data, T = 2.3 K Physics and Chemistry of Minerals, 2012, 39, 829-840 |
| 9017268 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.524; 8.672; 5.2411 90; 107.36; 90 | 413.156 | Posner, 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 = 2.1 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
| 9017269 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.197; 8.327; 5.0572 90; 106.23; 90 | 371.863 | Posner, 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 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.084; 8.077; 4.9544 90; 105.7; 90 | 349.95 | Posner, 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 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.076; 7.971; 4.9309 90; 105.56; 90 | 343.651 | Posner, 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 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.011; 7.918; 4.8955 90; 105.1; 90 | 337.229 | Posner, 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 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.368; 8.539; 5.1975 90; 107.44; 90 | 396.653 | Posner, 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 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.3; 8.447; 5.157 90; 107.14; 90 | 387.127 | Posner, 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 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.243; 8.407; 5.122 90; 106.85; 90 | 380.922 | Posner, 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 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.163; 8.34; 5.0739 90; 106.52; 90 | 371.739 | Posner, 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 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.082; 8.2; 5.02 90; 106.12; 90 | 359.152 | Posner, 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 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.034; 8.184; 4.9875 90; 106.02; 90 | 354.427 | Posner, 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 | CIF | Ca O4 S | B m m b | 7.03276; 7.02381; 6.32712 90; 90; 90 | 312.539 | Xu, 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 | CIF | As28 Ca16 F0.941 Fe7.536 Mn2 O84 Ti6 | P n -3 :2 | 15.9507; 15.9507; 15.9507 90; 90; 90 | 4058.25 | Gatta, 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 | CIF | As28 Ca16 F Fe7.278 Mn1.94 O84 Ti5.31 | P n -3 :2 | 15.9507; 15.9507; 15.9507 90; 90; 90 | 4058.25 | Gatta, 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 | CIF | As28 Ca16 F0.969 Fe7.506 Mn2 O84 Ti6 | P n -3 :2 | 15.9507; 15.9507; 15.9507 90; 90; 90 | 4058.25 | Gatta, 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 | CIF | As1.628 Cu5 H8 O15 P0.372 Zn | P 1 21/c 1 | 12.385; 9.261; 10.77 90; 97.1; 90 | 1225.82 | Krivovichev, 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 | CIF | Fe3 H17 K5 O35 S6 | P 1 21/c 1 | 9.448; 18.3183; 17.9825 90; 92.274; 90 | 3109.8 | Biagioni, 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 | CIF | Fe3 H8 K5 O31.52 S6 | P 1 21/c 1 | 9.3434; 18.1838; 17.7702 90; 96.381; 90 | 3000.43 | Biagioni, 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 | CIF | Bi6 O15 Te2 | P n m a | 10.637; 22.797; 5.4136 90; 90; 90 | 1312.75 | Nenert, 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 | CIF | Bi5 O16 Te | P n m a | 10.61155; 22.74458; 5.399038 90; 90; 90 | 1303.09 | Nenert, 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 | CIF | Al0.98 K O8 Si3.02 | C 1 2/m 1 | 8.5616; 12.9962; 7.1934 90; 116.015; 90 | 719.3 | Jones, J. B.; Taylor, W. H. The structure of orthoclase Acta Crystallographica, 1961, 14, 443-456 |
| 9017290 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.48; 12.97; 7.18 90; 115.98; 90 | 709.895 | Ribbe, 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 | CIF | H20 N2 Ni O14 S2 | P 1 21/a 1 | 9.241; 12.554; 6.243 90; 106.97; 90 | 692.724 | Montgomery, 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 | CIF | H20 Mg N2 O14 S2 | P 1 21/a 1 | 9.383; 12.669; 6.22 90; 107.05; 90 | 706.895 | Montgomery, 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 | CIF | O2 Si | C 2 2 21 (a,b,c+1/4) | 8.74; 5.04; 8.24 90; 90; 90 | 362.969 | Dollase, 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 | CIF | H16 Mg N O10 P | P m n 21 | 6.941; 6.137; 11.199 90; 90; 90 | 477.043 | Whitaker, A.; Jeffery, J. W. The crystal structure of struvite, MgNH4PO4*6H2O Acta Crystallographica, Section B, 1970, 26, 1429-1440 |
| 9017295 | CIF | Ca Cl2 O4 | P -1 | 6.593; 6.364; 8.557 97.77; 93.52; 110.56 | 330.776 | Thewalt, U.; Bugg, C. E. Crystal structure of calcium chloride tetrahydrate Acta Crystallographica, Section B, 1973, 29, 615-617 |
| 9017296 | CIF | H6 O8 S V | P 1 21/c 1 | 7.411; 7.439; 12.272 90; 108.9; 90 | 640.084 | Theobald, F.; Galy, J. Structure cristalline de VOSO4((H2O)3 Note: polymorph of bobjonesite Acta Crystallographica, Section B, 1973, 29, 2732-2736 |
| 9017297 | CIF | Ca O4 S | B m m b | 6.992; 6.999; 6.24 90; 90; 90 | 305.367 | Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S. Anhydrite: a refinement Acta Crystallographica, Section B, 1975, 31, 2164-2165 |
| 9017298 | CIF | O2 Si | C 1 c 1 | 18.494; 4.991; 25.832 90; 117.75; 90 | 2110.15 | Kato, V. K.; Nukui, A. Die kristallstruktur des monoklinen tief-tridymits Acta Crystallographica, Section B, 1976, 32, 2486-2491 |
| 9017299 | CIF | Al0.94 K0.871 Na0.12 O8 Rb0.008 Si3.06 | C -1 | 8.567; 12.98; 7.2 90.07; 116.03; 89.75 | 719.417 | Dal 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 | CIF | Al0.95 Ba0.006 Ca0.005 K0.904 Na0.085 O8 Si3.05 | C -1 | 8.564; 12.984; 7.201 90.13; 116.02; 89.53 | 719.53 | Dal 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 | CIF | Al0.99 K0.94 Na0.06 O8 Si3.01 | C -1 | 8.56; 12.984; 7.209 90.28; 116.03; 89.03 | 719.851 | Dal 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 | CIF | Al0.95 K0.94 Na0.06 O8 Si3.05 | C -1 | 8.574; 12.962; 7.21 90.35; 116.03; 88.8 | 719.85 | Dal 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 | CIF | Al0.99 K0.92 Na0.08 O8 Si3.01 | C -1 | 8.567; 12.97; 7.221 90.43; 116; 88.48 | 720.89 | Dal 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 | CIF | Al1.01 K0.94 Na0.06 O8 Si2.99 | C -1 | 8.561; 12.972; 7.223 90.56; 115.93; 87.92 | 720.894 | Dal 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 | CIF | Al1.01 K0.94 Na0.06 O8 Si2.99 | C -1 | 8.589; 13.013; 7.197 90; 116.02; 90 | 722.866 | Dal 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 | CIF | Al0.97 Ba0.005 Ca0.009 K0.931 Na0.055 O8 Si3.03 | C -1 | 8.583; 12.988; 7.202 90; 116.05; 90 | 721.29 | Dal 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 | CIF | Al1.005 Ba0.01 Ca0.01 K0.88 Na0.1 O8 Si2.995 | C -1 | 8.563; 12.99; 7.21 90; 115.93; 90 | 721.255 | Dal 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 | CIF | H Na3 O8 S2 | P 1 21/c 1 | 8.648; 9.648; 9.143 90; 108.77; 90 | 722.284 | Catti, 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 | CIF | Fe H6 O6 S | P 1 21/n 1 | 6.604; 8.693; 8.714 90; 96.05; 90 | 497.472 | Johansson, L. G.; Lindqvist, O. The crystal structure of iron(II) sulfite trihydrate, a-FeSO3.3H2O Acta Crystallographica, Section B, 1979, 35, 1017-1020 |
| 9017311 | CIF | Cl4 K2 Zn | P n a 21 | 26.778; 12.402; 7.256 90; 90; 90 | 2409.72 | Mikhail, I.; Peters, K. The structure of potassium tetrachlorozincate Acta Crystallographica, Section B, 1979, 35, 1200-1201 |
| 9017312 | CIF | Ca O4 S | A m m a | 7.006; 6.998; 6.245 90; 90; 90 | 306.18 | Kirfel, A.; Will, G. Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements Acta Crystallographica, Section B, 1980, 36, 2881-2890 |
| 9017313 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.679; 15.202; 6.522 90; 118.43; 90 | 495.153 | Pedersen, B. F.; Semmingsen, D. Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O Acta Crystallographica, Section B, 1982, 38, 1074-1077 |
| 9017314 | CIF | Be | P 63/m m c | 2.2853; 2.2853; 3.5842 90; 90; 120 | 16.211 | Larsen, F. K.; Hansen, N. K. Diffraction study of the electron density distribution in beryllium metal Acta Crystallographica, Section B, 1984, 40, 169-179 |
| 9017315 | CIF | H16 Mg N O10 P | P m n 21 | 6.955; 6.142; 11.218 90; 90; 90 | 479.206 | Abbona, 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 | CIF | C H4 N2 O | P -4 21 m | 5.584; 5.584; 4.689 90; 90; 90 | 146.208 | Swaminathan, 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 | CIF | C H4 N2 O | P -4 21 m | 5.57; 5.57; 4.688 90; 90; 90 | 145.445 | Swaminathan, 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 | CIF | C H4 N2 O | P -4 21 m | 5.565; 5.565; 4.684 90; 90; 90 | 145.06 | Swaminathan, 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 | CIF | F3 La | P -3 c 1 | 7.185; 7.185; 7.351 90; 90; 120 | 328.648 | Zalkin, 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 | CIF | C14 H10 | P 1 21 1 | 8.441; 6.14; 9.438 90; 97.96; 90 | 484.437 | Petricek, 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 |
| 9017321 | CIF | As K O5 Ti | P n a 21 | 13.138; 6.582; 10.787 90; 90; 90 | 932.798 | Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO4 Acta Crystallographica, Section B, 1994, 50, 655-662 |
| 9017322 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017323 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017324 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017325 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017326 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017327 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017328 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017329 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017330 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017331 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017332 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017333 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017334 | CIF | C H O4 Pb1.5 | R -3 m :H | 5.2475; 5.2475; 23.6795 90; 90; 120 | 564.687 | Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195 |
| 9017335 | CIF | C H O4 Pb1.5 | R -3 m :H | 5.257; 5.257; 23.636 90; 90; 120 | 565.693 | Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195 |
| 9017336 | CIF | C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13 | R -3 m :H | 7.1255; 7.1255; 66.2902 90; 90; 120 | 2914.81 | Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A. Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica, Section B, 2018, 74, 492-501 |
| 9017337 | CIF | O2 Si | C 2 2 21 | 8.7549; 5.0335; 8.2118 90; 90; 90 | 361.876 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
| 9017338 | CIF | O2 Si | P 41 21 2 | 4.9727; 4.9727; 6.9257 90; 90; 90 | 171.257 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
| 9017339 | CIF | Ca H1.62 O4.81 S | P 31 2 1 | 6.968; 6.968; 6.41 90; 90; 120 | 269.529 | Abriel, W. Calcium sulfat subhydrat, CaSO4.0,8H2O Acta Crystallographica, Section C, 1983, 39, 956-958 |
| 9017340 | CIF | Bi4 In2 Pb4 S13 | P b a m | 21.344; 26.494; 4.002 90; 90; 90 | 2263.08 | Kramer, V. Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13 Acta Crystallographica, Section C, 1986, 42, 1089-1091 |
| 9017341 | CIF | H24 Mn Na3 O22 P3 | P 1 21/n 1 | 14.763; 9.325; 15.14 90; 89.87; 90 | 2084.24 | Lightfoot, P.; Cheetham, A. K. Structure of manganese(II) trisodium tripolyphosphate dodecahydrate Locaality: synthetic Acta Crystallographica, Section C, 1987, 43, 4-7 |
| 9017344 | CIF | C H6 Mn N2 O14 P3 | P -1 | 9.747; 9.751; 7.689 99.92; 105.88; 100.08 | 673.084 | Averbuch-Pouchot M T; Durif, A. Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate Acta Crystallographica, Section C, 1990, 46, 965-968 |
| 9017346 | CIF | Al3 Ge2 Ni Y3 | P -6 2 m | 6.9481; 6.9481; 4.1565 90; 90; 90 | 200.66 | Zhao, J. T.; Parthe, E. Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type Acta Crystallographica, Section C, 1990, 46, 2273-2276 |
| 9017347 | CIF | C27 V2 | C c c e :1 | 19.529; 29.559; 16.446 90; 90; 90 | 9493.58 | Braga, D.; Sabatino, P. Bis(arene)vanadium complexes. A structural study Sample: 1 Acta Crystallographica, Section C, 1990, 46, 2308-2312 |
| 9017348 | CIF | C2 H4 Mn O6 | C 1 2/c 1 | 11.7648; 5.644; 9.6367 90; 125.843; 90 | 518.704 | Soleimannejad, J.; Aghabozorg, H.; Hooshmand, S.; Ghadermaz, M.; Gharamaleki, J. A. The monoclinic polymorph of catena-poly [[diaquamanganese(II)]-mu-oxalato-4O1,O2:O1',O2'] Acta Crystallographica, Section E, 2007, 63, m2389-m2390 |
| 9017349 | CIF | Ca7 F0.4 Fe0.04 H1.4 K0.89 Li3 Na0.12 O37.4 Si12 Sn0.02 Ti1.8 Zr0.14 | C 1 2/c 1 | 16.9093; 9.7287; 20.9019 90; 112.396; 90 | 3179.12 | Andrade, M. B.; Doell, D.; Downs, R. T.; Yang, H. Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2 Acta Crystallographica, Section E, 2013, 69, i41-i41 |
| 9017350 | CIF | As2.484 Ca0.43 Cu6 Dy0.01 Er0.02 H12.002 Ho0.01 O21.001 P0.516 Y0.52 Yb0.01 | P 63/m | 13.5059; 13.5059; 5.8903 90; 90; 120 | 930.497 | Morrison, S. M.; Domanik, K. J.; Origlieri, M. J.; Downs, R. T. Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O Acta Crystallographica, Section E, 2013, 69, i61-i62 |
| 9017351 | CIF | Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 | C 1 2/c 1 | 10.1936; 24.1959; 6.3218 90; 91.161; 90 | 1558.91 | Lafuente, B.; Downs, R. T.; Yang H and Jenkins, R. A. Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O Acta Crystallographica, Section E, 2014, 70, 116-117 |
| 9017352 | CIF | As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, B.; Downs, R. T. Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH) Acta Crystallographica, Section E, 2016, 72, 293-296 |
| 9017353 | CIF | Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06 | C 1 2 1 | 9.036; 6.1683; 11.9601 90; 91.433; 90 | 666.409 | Fendrich, K. V.; Downs, R. T.; Origlieri, M. J. Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O Acta Crystallographica, Section E, 2016, 72, 959-963 |
| 9017354 | CIF | Ca0.968 H4 O8 V1.885 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.359 | Kobsch, A.; Downs, R. T.; Domanik, K. J. Redetermination of metarossite, CaV5+2O6*2H2O Acta Crystallographica, Section E, 2016, 72, 1280-1284 |
| 9017355 | CIF | Al0.09 Ca1.925 Fe1.615 H K0.015 Mg0.13 Mn0.3 Na0.015 O15 Si4.915 | P -1 | 7.509; 11.697; 6.719 91.433; 93.886; 104.255 | 570.132 | Araki, T.; Zoltai, T. Crystal structure of babingtonite Zeitschrift fur Kristallographie, 1972, 135, 355-373 |
| 9017356 | CIF | C2 Ca Fe0.05 Mg0.94 Mn0.01 O6 | R -3 :H | 4.812; 4.812; 16.02 90; 90; 120 | 321.251 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017357 | CIF | C Fe0.02 Mg0.01 O3 Zn0.97 | R -3 c :H | 4.6526; 4.6526; 15.0257 90; 90; 120 | 281.68 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017358 | CIF | C Fe0.06 Mg0.01 Mn0.93 O3 | R -3 c :H | 4.7682; 4.7682; 15.6354 90; 90; 120 | 307.857 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017359 | CIF | C Ca0.99 Mg0.01 O3 | R -3 c :H | 4.9896; 4.9896; 17.061 90; 90; 120 | 367.846 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
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