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Bavenite |
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Cannillo E, Coda A, Fagnani G |
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Acta Crystallographica 20 (1966) 301-309 |
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The crystal structure of bavenite |
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23.19 5.005 19.39 90 90 90 Cmcm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .0842 .2425 .1524 1.29 .01440 .02234 .01225 .00000 .00000 .00125 |
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Be2 .1252 .8218 .25 1.37 .02402 .01597 .01210 .00389 0 0 |
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Al4 .0958 .5 0 .97 .01000 .01689 .01000 0 0 .00024 |
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Si1 0 .7802 .25 .77 .00490 .01440 .01000 0 0 0 |
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Si3 0 .7227 .1047 .92 .01000 .01690 .00810 0 0 0 |
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Si5 .1704 0 0 .94 .00810 .01956 .00813 0 0 .00060 |
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Si6 .2141 .8539 .1428 .81 .00816 .01433 .00810 -.00065 .00000 .00000 |
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O1 0 .5769 .1830 .88 .01690 .00758 .00881 0 0 -.00169 |
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O2 0 .0302 .1139 1.36 .01690 .02250 .01210 0 0 .00000 |
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O3 .0572 .5976 .0718 1.47 .01902 .02371 .01300 .00352 .00485 -.00035 |
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O4 .1314 .2298 .0361 1.29 .01618 .01952 .01325 .00335 .00218 .00238 |
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O5 .2081 .8636 .0598 1.21 .01381 .01827 .01390 .00255 -.00131 -.00022 |
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O6 .2337 .5575 .1646 1.18 .01058 .02129 .01290 -.00102 .00056 .00343 |
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O7 .1547 .9245 .1799 1.14 .01396 .01588 .01344 -.00135 .00072 .00123 |
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O8 .1211 .4868 .25 1.22 .01059 .01631 .01960 -.00192 0 0 |
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O9 .0586 .9504 .25 .91 .00813 .01210 .01440 .00034 0 0 |
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H .100 .267 .25 |
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