Rauenthalite
Catti M, Ivaldi G
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 0009786
12.564 12.169 6.195 89.09 79.69 118.58 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   .1852 .5871 .2560 .020   .023   .012   .024   .015  -.001  -.005
Ca2   .1258 .3560 .7921 .018   .020   .010   .023   .011  -.006   .000
Ca3   .1642 .9274 .4295 .018   .020   .013   .021   .012  -.009  -.006
As1   .2783 .2190 .0583 .018   .019   .010   .025   .011  -.009  -.004
As2   .0903 .6369 .7388 .016   .019   .009   .019   .010  -.009  -.005
O1     .195  .223 -.128 .021
O2     .179  .108  .261 .021
O3     .351  .361  .148 .018
O4     .381  .176 -.073 .022
O5    -.052  .621  .832 .014
O6     .064  .494  .674 .022
O7     .158  .732  .506 .023
O8     .176  .688  .929 .016
Wat1   .387  .765  .224 .031
Wat2   .289  .484  .453 .019
Wat3   .307  .523 -.057 .029
Wat4   .067  .227  .482 .020
Wat5  -.093  .160  .904 .019
Wat6   .071  .984  .760 .014
Wat7   .364  .986  .179 .024
Wat8   .315  .007  .647 .040
Wat9   .414  .850  .681 .035
Wat10  .486  .342  .445 .044