Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9014918 | CIF | Ca6 Cl0.286 H1.72 O12.714 Si3 | P -1 | 6.8126; 6.9416; 12.9412 90.582; 97.552; 98.251 | 600.143 | Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P. Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-containing dellaite Mineralogical Magazine, 2011, 75, 379-394 |
| 9014919 | CIF | H12 Mg3.84 O22 Si6 | P n c n | 13.4074; 27.0244; 5.2767 90; 90; 90 | 1911.89 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample NOR25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454 |
| 9014921 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.785; 9.1324; 5.1924 90; 101.751; 90 | 454.271 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K American Mineralogist, 2012, 97, 694-706 |
| 9014923 | CIF | Al1.463 Fe0.538 Mg1.003 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014924 | CIF | Ba0.105 Cu O10 Si4 Sr0.895 | P 4/n c c :2 | 7.36858; 7.36858; 15.6346 90; 90; 90 | 848.896 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014925 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.6094; 6.6094; 9.7239 90; 90; 120 | 367.871 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9014926 | CIF | Ag As Mn S3 | P 43 2 2 | 5.4496; 5.4496; 32.949 90; 90; 90 | 978.524 | Bonazzi, P.; Keutsch, F. N.; Bindi, L. Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure American Mineralogist, 2012, 97, 1199-1205 |
| 9014927 | CIF | Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6 | R 3 m :H | 15.921; 15.921; 7.175 90; 90; 120 | 1575.05 | Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T. Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim) The Canadian Mineralogist, 2012, 50, 825-841 |
| 9014928 | CIF | As3 Ca4 H9 O16 | P 1 21/c 1 | 5.822; 10.175; 22.8816 90; 96.902; 90 | 1345.66 | Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001 The Canadian Mineralogist, 2011, 49, 1055-1064 |
| 9014929 | CIF | Ca O14.249 Si4 V | P n m a | 9.609; 13.6833; 9.7559 90; 90; 90 | 1282.73 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C American Mineralogist, 2012, 97, 1874-1880 |
| 9014930 | CIF | Bi0.15 Ca0.65 F Na1.11 O6 Ta2 | F d -3 m :2 | 10.4451; 10.4451; 10.4451 90; 90; 90 | 1139.56 | Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H. Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil The Canadian Mineralogist, 2011, 49, 1105-1110 |
| 9014931 | CIF | Ba Cu O10 Si4 | P 4/n c c :2 | 7.442; 7.442; 16.133 90; 90; 90 | 893.5 | Giester, G.; Rieck, B. Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure Mineralogical Magazine, 1994, 58, 663-670 |
| 9014933 | CIF | Fe O4 Sb2 | P 42/m | 7.8498; 7.8498; 5.7452 90; 90; 90 | 354.016 | Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9014934 | CIF | Cu O | C 1 2/c 1 | 4.6732; 3.477; 5.119 90; 98.5625; 90 | 82.25 | Calos, N. J.; Forrester, J. S.; Schaffer, G. B. A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 34 min Journal of Solid State Chemistry, 1996, 122, 273-280 |
| 9014935 | CIF | C Ca O3 | P m c n | 4.9713; 8.0311; 5.8141 90; 90; 90 | 232.128 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 359 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014938 | CIF | Ca0.002 Fe0.01 Mn0.993 S | F -4 3 m | 5.601; 5.601; 5.601 90; 90; 90 | 175.71 | Ma, C.; Beckett, J. R.; Rossman, G. R. Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 2056-2059 |
| 9014939 | CIF | Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12 | C 1 c 1 | 16.549; 10.053; 24.618 90; 106.55; 90 | 3925.95 | Steele, I. M. Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye General Meeting of the International Mineralogical Association, 2002, 18, MO2-117 |
| 9014940 | CIF | Mn O4 V2 | F d -3 m :1 | 8.52; 8.52; 8.52 90; 90; 90 | 618.47 | Plumier, R. Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1962, 255, 2244-2246 |
| 9014941 | CIF | Al6.741 B3 Ca0.02 F0.1 Fe1.23 H3.09 K0.02 Mg0.978 Na0.86 O30.9 Si5.94 Ti0.111 Zn0.009 | R 3 m :H | 15.929; 15.929; 7.183 90; 90; 120 | 1578.39 | Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10 |
| 9014942 | CIF | Ni P | P b c a | 6.036; 4.8684; 6.8788 90; 90; 90 | 202.138 | Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003 |
| 9014943 | CIF | C Ca O3 | P m c n | 4.9614; 7.9954; 5.7668 90; 90; 90 | 228.76 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 154 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014944 | CIF | C Fe O3 | R -3 c :H | 4.514; 4.514; 13.34 90; 90; 120 | 235.402 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P14, P = 41.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014945 | CIF | Fe S0.5 Se0.5 | P 63 m c | 3.521; 3.521; 5.901 90; 90; 120 | 63.356 | Franz, E. D. Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe) Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280 |
| 9014946 | CIF | Ca0.44 H22 Na1.56 O25 V5 | C 1 2/m 1 | 19.848; 10.1889; 13.1184 90; 130.187; 90 | 2026.68 | Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species with a doubly-protonated decavanadate polyanion: crystal structure and descriptive mineralogy The Canadian Mineralogist, 2011, 49, 1243-1251 |
| 9014952 | CIF | Cl2 Fe | R -3 m :H | 3.592; 3.592; 17.384 90; 90; 120 | 194.246 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 3.15 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9014953 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5291; 11.5291; 11.5291 90; 90; 90 | 1532.45 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 972.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014954 | CIF | La0.09 Na1.74 Nb2 O6 | P b c m | 5.51; 5.5563; 15.567 90; 90; 90 | 476.587 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .58, La.09Na1.74Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014956 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3177; 11.3177; 9.6293 90; 90; 120 | 1068.17 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9014959 | CIF | Al1.611 Fe0.391 Mg O4 | F d -3 m :2 | 8.1473; 8.1473; 8.1473 90; 90; 90 | 540.806 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = Untreated min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014960 | CIF | Al2.9 Fe0.04 H2 K0.86 Mg0.06 Na0.1 O12 Si3 | C 1 2/c 1 | 5.1906; 9.008; 20.047 90; 95.757; 90 | 932.608 | Guven, N. The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 muscovite Zeitschrift fur Kristallographie, 1971, 134, 196-212 |
| 9014961 | CIF | As Cl2 H O3 Pb2 | P 1 21/m 1 | 6.4235; 5.5399; 9.321 90; 90.767; 90 | 331.663 | Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P. Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization Mineralogical Magazine, 2012, 76, 597-602 |
| 9014962 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.383; 14.61; 5.592 90; 90; 90 | 439.786 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014967 | CIF | As Fe2 H19 O18 S | P -1 | 7.549; 10.305; 10.904 115.136; 99.798; 92.864 | 749.581 | Majzlan, J.; Lazic, B.; Armbruster, T.; Johnson, M. B.; White, M. A.; Fisher, R. A.; Plasil, J.; Loun, J.; Skoda, R.; Novak, M. Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, Fe2(AsO4)(SO4)(OH)*9H2O Journal of Mineralogical and Petrological Sciences, 2012, 107, 133-148 |
| 9014968 | CIF | Cu5 H2 O14 Pb2.04 Te2 | P 21 n m | 5.2; 9.6225; 11.534 90; 90; 90 | 577.127 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets American Mineralogist, 2010, 95, 1560-1568 |
| 9014971 | CIF | B5 Ca2 H7 O13 | P 1 21/c 1 | 11.58; 6.9844; 12.352 90; 110.573; 90 | 935.309 | Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834 |
| 9014973 | CIF | As2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456 | I a -3 d | 12.4829; 12.4829; 12.4829 90; 90; 90 | 1945.12 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9014974 | CIF | B11 Ca0.301 H7 O22 Sr1.699 | P 1 21 1 | 6.7127; 20.704; 6.6276 90; 119.209; 90 | 803.98 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p American Mineralogist, 2012, 97, 489-495 |
| 9014975 | CIF | Ba0.636 Cu O10 Si4 Sr0.364 | P 4/n c c :2 | 7.403; 7.403; 15.9357 90; 90; 90 | 873.347 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014976 | CIF | Ca4.71 F3 Mn0.67 Na1.62 O15 Si4 Ti0.26 Zr0.74 | P -1 | 10.934; 10.991; 7.366 109.43; 109.6; 83.56 | 786.429 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
| 9014977 | CIF | Fe0.093 Mg0.908 O3 Si | P 1 21/c 1 | 17.87; 8.526; 4.9485 90; 92.88; 90 | 752.999 | Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 14.26 GPa American Mineralogist, 2012, 97, 1070-1074 |
| 9014978 | CIF | Ag4 As5.78 S15 Sb1.22 Tl5 | P -1 | 8.92; 9.429; 20.062 79.66; 88.84; 62.72 | 1471.6 | Bindi, L.; Nestola, F.; Guastoni, A.; Peruzzo, L.; Ecker, M.; Carampin, R. Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 1153-1163 |
| 9014979 | CIF | Al6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03 | R 3 m :H | 15.955; 15.955; 7.153 90; 90; 120 | 1576.93 | Clark, C. M.; Hawthorne, F. C.; Ottolini, L. Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure The Canadian Mineralogist, 2011, 49, 57-62 |
| 9014981 | CIF | Ca4.16 Ce0.3 F2.96 La0.16 Mn0.02 Na2.08 Nb0.29 Nd0.08 O15.04 Pr0.04 Si4 Sr0.02 Ti0.67 Y0.08 Zr0.04 | P 1 21/c 1 | 7.4132; 5.6816; 18.8455 90; 101.37; 90 | 778.173 | Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample H-08-02 Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9014982 | CIF | Al7.287 B3 Ca0.685 F0.684 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003 | R 3 m :H | 15.8307; 15.8307; 7.1013 90; 90; 120 | 1541.23 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014983 | CIF | Mg O3 Si | P b c a | 17.933; 8.595; 5.0766 90; 90; 90 | 782.477 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014984 | CIF | Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 | R 3 m :H | 15.9476; 15.9476; 7.1578 90; 90; 120 | 1576.53 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK42 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9014985 | CIF | Mg1.86 O4 Si0.94 | F d -3 m :2 | 8.1031; 8.1031; 8.1031 90; 90; 90 | 532.051 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K American Mineralogist, 2012, 97, 573-582 |
| 9014986 | CIF | H2 O | R -3 c :R | 7.6; 7.6; 7.6 70.1; 70.1; 70.1 | 375.394 | Engelhardt, H.; Kamb, B. Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb Journal of Chemical Physics, 1981, 75, 5887-5899 |
| 9014987 | CIF | Mo O3 | P b n m | 3.9624; 13.86; 3.6971 90; 90; 90 | 203.041 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model Powder Diffraction, 2009, 24, 315-326 |
| 9014989 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min European Journal of Mineralogy, 2012, 24, 633-643 |
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