Crystallography Open Database
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|---|---|---|---|---|---|---|
| 9010115 | CIF | Fe1.19 Ni1.81 S4 | F d -3 m :2 | 9.4318; 9.4318; 9.4318 90; 90; 90 | 839.042 | Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A. A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = -73 C American Mineralogist, 2006, 91, 1442-1447 |
| 9010116 | CIF | Fe1.2 Ni1.8 S4 | F d -3 m :2 | 9.4211; 9.4211; 9.4211 90; 90; 90 | 836.19 | Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A. A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = -173 C American Mineralogist, 2006, 91, 1442-1447 |
| 9010117 | CIF | Ca9 Fe0.2 Mg0.8 Na0.23 O28 P6.24 | R 3 c :H | 10.2909; 10.2909; 36.8746 90; 90; 120 | 3381.93 | Hughes, J. M.; Jolliff, B. L.; Gunter, M. E. The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14 lunar mission: The first structure of merrillite from the Moon American Mineralogist, 2006, 91, 1547-1552 |
| 9010118 | CIF | F3 Mg Na | P b n m | 4.8904; 5.2022; 7.1403 90; 90; 90 | 181.655 | Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B. Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (a), P = 27 GPa American Mineralogist, 2006, 91, 1703-1706 |
| 9010119 | CIF | F3 Mg Na | C m c m | 2.7145; 8.393; 6.8512 90; 90; 90 | 156.09 | Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B. Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (b), P = 54 GPa American Mineralogist, 2006, 91, 1703-1706 |
| 9010120 | CIF | F3 Mg Na | C m c m | 2.7164; 8.381; 6.8487 90; 90; 90 | 155.919 | Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B. Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (c), P = 54 GPa American Mineralogist, 2006, 91, 1703-1706 |
| 9010121 | CIF | F3 Mg Na | C m c 21 | 2.7143; 8.393; 6.846 90; 90; 90 | 155.96 | Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B. Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (d), P = 54 GPa American Mineralogist, 2006, 91, 1703-1706 |
| 9010122 | CIF | Al2 F2 O4 Si | P b n m | 4.6601; 8.826; 8.3778 90; 90; 90 | 344.579 | Diego Gatta, G.; Nestola, F.; Bromiley, G. D.; Loose, A. New insight into crystal chemistry of topaz: a multi-methodological study Sample: X-ray refinement at T = 298 K Note: x(F4) corrected American Mineralogist, 2006, 91, 1839-1846 |
| 9010123 | CIF | Al2 F1.56 H0.44 O4.44 Si | P b n m | 4.667; 8.834; 8.395 90; 90; 90 | 346.111 | Diego Gatta, G.; Nestola, F.; Bromiley, G. D.; Loose, A. New insight into crystal chemistry of topaz: a multi-methodological study Sample: Neutron refinement at T = 298 K American Mineralogist, 2006, 91, 1839-1846 |
| 9010124 | CIF | Al2 F1.58 H0.42 O4.42 Si | P b n m | 4.657; 8.838; 8.426 90; 90; 90 | 346.802 | Diego Gatta, G.; Nestola, F.; Bromiley, G. D.; Loose, A. New insight into crystal chemistry of topaz: a multi-methodological study Sample: Neutron refinement at T = 10 K American Mineralogist, 2006, 91, 1839-1846 |
| 9010125 | CIF | Al7.41 B3.12 Ca0.57 F0.76 H3.24 Li1.32 Mn0.06 Na0.29 O30.24 Si5.88 | R 3 m :H | 15.8322; 15.8322; 7.1034 90; 90; 120 | 1541.98 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID3NEW American Mineralogist, 2006, 91, 1847-1856 |
| 9010126 | CIF | Al7.56 B3.24 Ca0.5 F0.56 Fe0.06 H3.441 Li1.14 Mn0.03 Na0.34 O30.44 Si5.76 | R 3 m :H | 15.8204; 15.8204; 7.0955 90; 90; 120 | 1537.97 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID6A1 American Mineralogist, 2006, 91, 1847-1856 |
| 9010127 | CIF | Al7.62 B3.3 Ca0.41 F0.51 Fe0.03 H3.489 Li1.08 Mn0.03 Na0.41 O30.49 Si5.7 | R 3 m :H | 15.8119; 15.8119; 7.0925 90; 90; 120 | 1535.67 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID52 American Mineralogist, 2006, 91, 1847-1856 |
| 9010128 | CIF | Al7.83 B3.42 Ca0.3 F0.5 H3.501 Li0.9 Na0.46 O30.5 Si5.58 | R 3 m :H | 15.8095; 15.8095; 7.0941 90; 90; 120 | 1535.55 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LC1 American Mineralogist, 2006, 91, 1847-1856 |
| 9010129 | CIF | Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 | C -1 | 5.327; 9.233; 14.381 90.2; 97.2; 89.97 | 701.736 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on chlorite: A single-crystal study Sample: P = .0001 GPa American Mineralogist, 2006, 91, 1871-1878 |
| 9010130 | CIF | Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 | C -1 | 5.298; 9.183; 14.23 90.22; 97.21; 89.95 | 686.832 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on chlorite: A single-crystal study Sample: P = 1.83 GPa American Mineralogist, 2006, 91, 1871-1878 |
| 9010131 | CIF | Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 | C -1 | 5.28; 9.147; 14.15 90.2; 97.2; 89.92 | 677.997 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on chlorite: A single-crystal study Sample: P = 3.14 GPa American Mineralogist, 2006, 91, 1871-1878 |
| 9010132 | CIF | Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 | C -1 | 5.2618; 9.114; 14.106 90.12; 97.2; 89.97 | 671.132 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on chlorite: A single-crystal study Sample: P = 4.25 GPa American Mineralogist, 2006, 91, 1871-1878 |
| 9010133 | CIF | Al5 Fe0.5 H8 Mg4.5 O18 Si4 | C -1 | 5.252; 9.106; 14.11 90.1; 97.3; 89.93 | 669.336 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on chlorite: A single-crystal study Sample: P = 4.85 GPa American Mineralogist, 2006, 91, 1871-1878 |
| 9010134 | CIF | As0.279 Ca1.838 Cl O12 P2.721 Pb3.162 | P 63/m | 9.857; 9.857; 7.13 90; 90; 120 | 599.943 | Kampf, A. R.; Steele, I. M.; Jenkins, R. A. Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane: Description and crystal structure American Mineralogist, 2006, 91, 1909-1917 |
| 9010135 | CIF | Cl2 Mo O5 Pb3 | A m a m | 11.0116; 13.1149; 5.59485 90; 90; 90 | 807.986 | Charkin, D. O.; Lightfoot, P. Synthesis of novel lead - molybdenum and tungsten oxyhalides with the pinalite structure, Pb3MoO5Cl2 and Pb3WO5Br2 American Mineralogist, 2006, 91, 1918-1921 |
| 9010136 | CIF | Ca5 Cl0.07 F0.09 H0.82 O12.82 P0.66 S1.08 Si1.26 | P 63/m | 9.496; 9.496; 6.92 90; 90; 120 | 540.403 | Onac, B. P.; Effenberger, H.; Ettinger, K.; Panzaru, S. P. Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, structural, and vibrational spectroscopy data Locality: Cioclovina Cave, Sureanu Mountains, Romania American Mineralogist, 2006, 91, 1927-1931 |
| 9010138 | CIF | Al5 Fe0.1 H10 Mg0.9 Na O24 P4 | C 1 2/c 1 | 25.075; 5.047; 13.437 90; 110.97; 90 | 1587.87 | Atencio, D.; Coutinho, J. M. V.; Mascarenhas, Y. P.; Ellena, J. A. Matioliite, the Mg-analogue of burangaite, from Gentil mine, Mendes Pimentel, Minas Gerais, Brazil, and other occurrences Locality: Gentil mine, Mendes Pimentel, Minas Gerais, Brazil Sample: T = 120 K American Mineralogist, 2006, 91, 1932-1936 |
| 9010139 | CIF | Al1.992 Mg0.994 Mn0.015 O4 | F d -3 m :2 | 8.0883; 8.0883; 8.0883 90; 90; 90 | 529.141 | Bosi, F.; Halenius, U.; Andreozzi, G. B.; Skogby, H.; Lucchesi, S. Structural refinement and crystal chemistry of Mn-doped spinel: A case for tetrahedrally coordinated Mn3+ in an oxygen-based structure Sample: MgMn01 American Mineralogist, 2007, 92, 27-33 |
| 9010140 | CIF | Al1.972 Mg0.966 Mn0.063 O4 | F d -3 m :2 | 8.0965; 8.0965; 8.0965 90; 90; 90 | 530.752 | Bosi, F.; Halenius, U.; Andreozzi, G. B.; Skogby, H.; Lucchesi, S. Structural refinement and crystal chemistry of Mn-doped spinel: A case for tetrahedrally coordinated Mn3+ in an oxygen-based structure Sample: MgMn05 American Mineralogist, 2007, 92, 27-33 |
| 9010141 | CIF | Al1.808 Mg0.887 Mn0.304 O4 | F d -3 m :2 | 8.1321; 8.1321; 8.1321 90; 90; 90 | 537.784 | Bosi, F.; Halenius, U.; Andreozzi, G. B.; Skogby, H.; Lucchesi, S. Structural refinement and crystal chemistry of Mn-doped spinel: A case for tetrahedrally coordinated Mn3+ in an oxygen-based structure Sample: MgMn10 American Mineralogist, 2007, 92, 27-33 |
| 9010142 | CIF | Al1.75 Mg0.899 Mn0.351 O4 | F d -3 m :2 | 8.1413; 8.1413; 8.1413 90; 90; 90 | 539.612 | Bosi, F.; Halenius, U.; Andreozzi, G. B.; Skogby, H.; Lucchesi, S. Structural refinement and crystal chemistry of Mn-doped spinel: A case for tetrahedrally coordinated Mn3+ in an oxygen-based structure Sample: MgMn20 American Mineralogist, 2007, 92, 27-33 |
| 9010143 | CIF | O2 Si | C 1 2/c 1 | 7.14; 12.371; 7.175 90; 120.34; 90 | 546.962 | Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O. First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section American Mineralogist, 2007, 92, 57-63 |
| 9010144 | CIF | O2 Si | P 32 2 1 | 4.923; 4.923; 5.409 90; 90; 120 | 113.529 | Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O. First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section American Mineralogist, 2007, 92, 57-63 |
| 9010145 | CIF | O2 Si | P 32 2 1 | 4.918; 4.918; 5.407 90; 90; 120 | 113.257 | Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O. First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in air American Mineralogist, 2007, 92, 57-63 |
| 9010146 | CIF | O2 Si | P 32 2 1 | 4.917; 4.917; 5.41 90; 90; 120 | 113.273 | Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O. First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in a thin section American Mineralogist, 2007, 92, 57-63 |
| 9010147 | CIF | Al1.71 As0.27 Be3.33 Ca3.78 Fe0.96 Mg7.87 Mn1.35 O40 Sb3 Si5.73 | P 1 | 10.394; 10.777; 8.896 105.953; 96.294; 124.948 | 738.874 | Grew, E. S.; Barbier, J.; Britten, J.; Halenius, U.; Shearer, C. K. The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite- sapphirine-surinamite group mineral American Mineralogist, 2007, 92, 80-90 |
| 9010148 | CIF | H8.48 Mg4 O22.91 Si6 | P n c n | 13.405; 27.016; 5.275 90; 90; 90 | 1910.34 | Post, J. E.; Bish, D. L.; Heaney, P. J. Synchrotron powder X-ray diffraction study of the structure and dehydration behavior of sepiolite Sample: T = room temperature, in air American Mineralogist, 2007, 92, 91-97 |
| 9010149 | CIF | H2 Mg2 O9 Si3 | P 1 21/n 1 | 23.446; 11.352; 5.2782 90; 89.06; 90 | 1404.65 | Post, J. E.; Bish, D. L.; Heaney, P. J. Synchrotron powder X-ray diffraction study of the structure and dehydration behavior of sepiolite Sample: T = 742 K American Mineralogist, 2007, 92, 91-97 |
| 9010150 | CIF | As2 Fe3 H6 O12.6 S0.65 | C 1 2/m 1 | 8.9575; 6.4238; 9.7912 90; 96.032; 90 | 560.278 | Morin, G.; Rousse, G.; Elkaim, E. Crystal structure of tooeleite, Fe6(AsO3)4SO4(OH)4 * 4H2O, a new iron arsenite oxyhydroxysulfate mineral relevant of acid mine drainage Locality: Tooele County, Utah American Mineralogist, 2007, 92, 193-197 |
| 9010151 | CIF | Al Cu2 H12 O12 Sb | P -3 | 9.15; 9.15; 9.745 90; 90; 120 | 706.569 | Bonaccorsi, E.; Merlino, S.; Orlandi, P. Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships American Mineralogist, 2007, 92, 198-203 |
| 9010152 | CIF | Al1.01 H12 O12 Sb Zn1.99 | P -3 | 5.327; 5.327; 9.792 90; 90; 120 | 240.64 | Bonaccorsi, E.; Merlino, S.; Orlandi, P. Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships Locality: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan Alps, Tuscany, Italy American Mineralogist, 2007, 92, 198-203 |
| 9010153 | CIF | Ca0.017 Cr0.019 Fe0.437 Mg0.16 Mn0.356 S Zn0.001 | F m -3 m | 5.1717; 5.1717; 5.1717 90; 90; 90 | 138.325 | Karwowski, L.; Kryza, R.; Przylibski, T. A. New chemical and physical data on keilite from the Zaklodzie enstatite achondrite Locality: Zaklodzie enstatite achondrite meteorite American Mineralogist, 2007, 92, 204-209 |
| 9010154 | CIF | Li0.52 Mg0.96 O6 Sc0.52 Si2 | P b c a | 18.259; 8.883; 5.271 90; 90; 90 | 854.928 | Yang, H.; Downs, R. T. Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene American Mineralogist, 2007, 92, 225-228 |
| 9010155 | CIF | H4 Mn Na0.29 O2.691 | C -1 | 5.178; 2.8509; 7.3344 89.45; 103.18; 89.91 | 105.412 | Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S. Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: Na-birnessite American Mineralogist, 2007, 92, 380-387 |
| 9010156 | CIF | H4 K0.23 Mn O2.776 | C -1 | 5.1371; 2.8476; 7.2131 89.96; 100.75; 89.702 | 103.663 | Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S. Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: K-birnessite American Mineralogist, 2007, 92, 380-387 |
| 9010157 | CIF | Ba0.145 H4 Mn O2.444 | C -1 | 5.1711; 2.8476; 7.3076 89.516; 102.957; 89.897 | 104.862 | Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S. Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: Ba-birnessite American Mineralogist, 2007, 92, 380-387 |
| 9010158 | CIF | C Si | P 63 m c | 3.081; 3.081; 15.1248 90; 90; 120 | 124.338 | Capitani, G. C.; Di Pierro, S.; Tempesta, G. The 6H-SiC structure model: Further refinement from SCXRD data from a terrestrial moissanite American Mineralogist, 2007, 92, 403-407 |
| 9010159 | CIF | Al2.28 O4.86 Si0.72 | P b a m | 7.552; 7.6872; 2.8843 90; 90; 90 | 167.444 | Popović, J.; Tkalčec, E.; Gržeta, B.; Kurajica, S.; Schmauch, J. Cobalt incorporation in mullite Sample: MU0 American Mineralogist, 2007, 92, 408-411 |
| 9010160 | CIF | Al2.25 Co0.015 O4.86 Si0.735 | P b a m | 7.5618; 7.6882; 2.886 90; 90; 90 | 167.782 | Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Schmauch, J. Cobalt incorporation in mullite Sample: MU1 American Mineralogist, 2007, 92, 408-411 |
| 9010161 | CIF | H46 K5 Mn15 Na6 O104.02 Si36 | C 1 2/m 1 | 17.333; 23.539; 13.4895 90; 115.069; 90 | 4985.27 | Yakovenchuk, V. N.; Krivovichev, S. K.; Pakhomovsky, Y. A.; Ivanyuk, G. Y.; Selivanova, E. A.; Men'shikov, Y. P.; Britvin, S. N. Armbrusterite, K5Na6Mn3+Mn2+14[Si9O22]4(OH)10*4H2O, a new Mn hydrous heterophyllosilicate from the Khibiny alkaline massif, Kola Peninsula, Russia American Mineralogist, 2007, 92, 416-423 |
| 9010162 | CIF | Ca Ge2 O5 | P b a m | 7.306; 8.268; 5.714 90; 90; 90 | 345.16 | Nemeth, P.; Leinenweber, K.; Groy, T. L.; Buseck, P. R. A new high-pressure CaGe2O5 polymorph with 5- and 6-coordinated germanium American Mineralogist, 2007, 92, 441-443 |
| 9010163 | CIF | Al0.865 Fe0.255 H4 Mg2.292 O9 Si1.588 | C 1 2/m 1 | 5.3363; 9.24; 14.37 90; 96.93; 90 | 703.371 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on monoclinic chlorite: a single-crystal study American Mineralogist, 2007, 92, 655-661 |
| 9010164 | CIF | Al0.865 Fe0.255 H4 Mg2.292 O9 Si1.588 | C 1 2/m 1 | 5.327; 9.227; 14.23 90; 96.9; 90 | 694.37 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on monoclinic chlorite: a single-crystal study American Mineralogist, 2007, 92, 655-661 |
| 9010165 | CIF | Al0.865 Fe0.255 H4 Mg2.292 O9 Si1.588 | C 1 2/m 1 | 5.304; 9.19; 14.2 90; 96.9; 90 | 687.148 | Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P. Structural effects of pressure on monoclinic chlorite: a single-crystal study American Mineralogist, 2007, 92, 655-661 |
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