American Mineralogist Crystal Structure Database

1 matching records for this search.

Phaunouxite
Download hom/phaunouxite.pdf
Catti M, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=39&spage=4
Acta Crystallographica B39 (1983) 4-10
On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) ->
Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0009785
12.563 12.181 6.205 88.94 91.67 113.44 P-1
atom       x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1    .1682 .5660  .3208 .0108  .0143  .0102  .0080  .0057 -.0009 -.0007
Ca2    .1084 .3371  .8407 .0108  .0152  .0104  .0067  .0069  .0009  .0010
Ca3    .1605 .9097  .4957 .0120  .0184  .0103  .0074  .0065  .0001  .0014
As1    .2598 .1854  .1645 .0097  .0119  .0096  .0075  .0050  .0008  .0004
As2    .0859 .6283  .7746 .0084  .0128  .0088  .0037  .0063  .0004  .0006
O1     .1814 .2015 -.0493  .018  .0250   .019   .011   .014  -.008  -.004
O2     .1683 .0845  .3344  .018   .024   .017   .014   .008   .003   .007
O3     .3226 .3166  .2967  .019   .025   .015   .017   .007  -.001  -.003
O4     .3633 .1436  .0786  .018   .013   .017   .024   .007  -.004  -.007
O5    -.0452 .6345  .8097  .012   .014   .013   .009   .008   .002   .000
O6     .0535 .4850  .7066  .013   .022   .006   .011   .005  -.004  -.003
O7     .1501 .7135  .5617  .012   .023   .011   .002   .008   .003   .004
O8     .1687 .6715  .9993  .014   .021   .016   .006   .007   .000   .001
Wat1   .3618 .7127  .3905  .029   .021   .035   .032   .012  -.005  -.013
Wat2   .2515 .4467  .5563  .019   .023   .019   .014   .012   .001  -.002
Wat3   .2759 .4839  .0635  .016   .012   .021   .014   .006   .006   .001
Wat4   .0554 .2158  .5053  .014   .021   .014   .008   .011   .001   .001
Wat5  -.0879 .1696  .8650  .018   .031   .017   .006   .008   .004  -.001
Wat6   .0719 .9804  .7864  .018   .025   .012   .016   .003  -.001  -.003
Wat7   .3377 .9390  .3182  .040   .032   .048   .039   .025   .016   .019
Wat8   .3003 .9697  .7735  .048   .059   .057   .027   .043  -.030  -.031
Wat9   .4023 .8017  .8229  .039   .029   .047   .040   .015  -.005   .007
Wat10  .4349 .3049  .7068  .032   .030   .031   .036   .010   .006   .008
Wat11  .4536 .5426  .7790  .027   .017   .036   .029   .003   .006   .003
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