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Sonoraite |
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Donnay G, Stewart J M, Preston H |
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Tschermaks Mineralogische und Petrographische Mitteilungen 14 (1970) 27-44 |
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The crystal structure of sonoraite, Fe3+Te4+O3(OH)*H2O |
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Locality: Sonora, Mexico |
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_database_code_amcsd 0015635 |
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10.984 10.268 7.917 90 108.49 90 P2_1/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe3+1 .5303 .0033 .2111 .0017 .0017 .0028 .0001 .0012 -.0001 |
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Fe3+2 .8775 .0796 .4222 .0025 .0025 .0053 .0002 .0022 .0000 |
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Te4+1 .7189 .3368 .2134 .0021 .0016 .0043 .0003 .0015 .0001 |
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Te4+2 .3864 .2154 .4104 .0020 .0012 .0035 -.0001 .0015 .0000 |
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O3 .8200 .4512 .1269 1.17 |
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O5 .5312 .1314 .3913 0.74 |
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O6 .8458 .2706 .4171 0.95 |
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O8 .4675 .1218 -.0096 0.86 |
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O9 .3394 -.0301 .1653 1.03 |
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O10 .4129 .3431 .1455 0.81 |
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OH2 .0609 .3953 .0771 1.18 |
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OH4 .7114 .0499 .2330 1.00 |
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Wat1 .9588 .0967 .2075 1.68 |
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Wat7 .1655 .3328 .4711 2.18 |
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Ewaldite |
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Donnay G, Preston H |
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Tschermaks Mineralogische und Petrographische Mitteilungen 15 (1971) 201-212 |
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Ewaldite, a new barium calcium carbonate II. Its crystal structure |
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Note: unlocated carbonate group |
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_database_code_amcsd 0015637 |
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5.284 5.284 12.78 90 90 120 P6_3mc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba 1/3 2/3 0 .023877 .023877 .002526 .011939 0 0 |
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Ca 1/3 2/3 .305 .48 .024116 .024116 .003658 .012058 0 0 |
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Ce 1/3 2/3 .305 .20 .024116 .024116 .003658 .012058 0 0 |
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Na 1/3 2/3 .305 .15 .024116 .024116 .003658 .012058 0 0 |
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K 1/3 2/3 .305 .11 .024116 .024116 .003658 .012058 0 0 |
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Sr 1/3 2/3 .305 .03 .024116 .024116 .003658 .012058 0 0 |
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U 1/3 2/3 .305 .02 .024116 .024116 .003658 .012058 0 0 |
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C 0 0 .422 2.3 |
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O .137 -.137 .425 2.7 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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