American Mineralogist Crystal Structure Database

1 matching records for this search.

Guerinite
Download hom/guerinite.pdf
Catti M, Ferraris G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=30&spage=1789
Acta Crystallographica B30 (1974) 1789-1794
Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite)
Locality: synthetic
_database_code_amcsd 0009510
17.630 6.734 23.470 90 90.6 90 P2_1/n
atom     x     y     z occ Biso
Ca1  .5497 .4225 .3794      1.7
Ca2  .4515 .8850 .4333      1.5
Ca3  .4521 .7754 .2712      1.9
Ca4  .5155 .2668 .2140      1.8
Ca5  .2248 .5102 .2820      1.8
Ca6  .2194 .0573 .4876      1.7
As1  .5981 .9483 .3379      1.1
As2  .4020 .2581 .3188      1.2
As3  .3328 .5099 .1686      1.1
As4  .4032 .3719 .4830      1.3
As5  .5473 .7671 .1521      2.0
O1    .561  .008  .275       .3
O2    .687  .868  .325      4.4
O3    .537  .754  .357      2.9
O4    .614  .124  .387      3.2
O5    .388  .095  .268       .5
O6    .447  .172  .374       .0
O7    .460  .438  .299      3.3
O8    .327  .344  .336      2.3
O9    .306  .604  .105      1.9
O10   .339  .679  .219       .8
O11   .414  .417  .162      1.2
O12   .271  .355  .190      4.6
O13   .456  .166  .497       .0
O14   .321  .287  .449       .3
O15   .372  .507  .542      1.8
O16   .442  .520  .440      4.8
O17   .487  .953  .164      1.1
O18   .505  .616  .098       .8
O19   .634  .835  .132      4.0
O20   .557  .630  .210      1.4
Wat1  .361  .773  .354      1.4
Wat2  .346  .874  .499      1.2
Wat3  .636  .442  .298      4.9
Wat4  .624  .242  .156      4.8
Wat5  .158  .491  .377      1.2
Wat6  .210 -.061  .584      5.2
Wat7  .179  .726  .472      3.8
Wat8  .084  .115  .505      5.5
Wat9  .225  .382  .546      5.6
Wat10 .736  .732  .216      4.0
Ca7   .476  .142  .031 .17   .9
Ca8   .545  .071  .051 .08   .7
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