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Guerinite |
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Catti M, Ferraris G |
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Acta Crystallographica B30 (1974) 1789-1794 |
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Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite) |
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Locality: synthetic |
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17.630 6.734 23.470 90 90.6 90 P2_1/n |
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atom x y z occ Biso |
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Ca1 .5497 .4225 .3794 1.7 |
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Ca2 .4515 .8850 .4333 1.5 |
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Ca3 .4521 .7754 .2712 1.9 |
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Ca4 .5155 .2668 .2140 1.8 |
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Ca5 .2248 .5102 .2820 1.8 |
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Ca6 .2194 .0573 .4876 1.7 |
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As1 .5981 .9483 .3379 1.1 |
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As2 .4020 .2581 .3188 1.2 |
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As3 .3328 .5099 .1686 1.1 |
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As4 .4032 .3719 .4830 1.3 |
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As5 .5473 .7671 .1521 2.0 |
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O1 .561 .008 .275 .3 |
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O2 .687 .868 .325 4.4 |
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O3 .537 .754 .357 2.9 |
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O4 .614 .124 .387 3.2 |
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O5 .388 .095 .268 .5 |
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O6 .447 .172 .374 .0 |
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O7 .460 .438 .299 3.3 |
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O8 .327 .344 .336 2.3 |
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O9 .306 .604 .105 1.9 |
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O10 .339 .679 .219 .8 |
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O11 .414 .417 .162 1.2 |
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O12 .271 .355 .190 4.6 |
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O13 .456 .166 .497 .0 |
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O14 .321 .287 .449 .3 |
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O15 .372 .507 .542 1.8 |
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O16 .442 .520 .440 4.8 |
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O17 .487 .953 .164 1.1 |
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O18 .505 .616 .098 .8 |
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O19 .634 .835 .132 4.0 |
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O20 .557 .630 .210 1.4 |
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Wat1 .361 .773 .354 1.4 |
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Wat2 .346 .874 .499 1.2 |
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Wat3 .636 .442 .298 4.9 |
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Wat4 .624 .242 .156 4.8 |
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Wat5 .158 .491 .377 1.2 |
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Wat6 .210 -.061 .584 5.2 |
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Wat7 .179 .726 .472 3.8 |
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Wat8 .084 .115 .505 5.5 |
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Wat9 .225 .382 .546 5.6 |
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Wat10 .736 .732 .216 4.0 |
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Ca7 .476 .142 .031 .17 .9 |
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Ca8 .545 .071 .051 .08 .7 |
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