Ca5H2(AsO4)4*5H2O
Catti M, Ivaldi G
Zeitschrift fur Kristallographie 157 (1981) 119-130
Mechanism of the reaction Ca5H2(AsO4)4*9H2O (ferrarisite) ->
Ca5H2(AsO4)4*5H2O) (dimorph of vladimirite), and structure of the latter phase
Note: formed by dehydrating ferrarisite at 60 C
Locality: Sainte-Marie-aux-Mines (Alsace), France
_database_code_amcsd 0010836
8.286 6.673 9.743 86.58 111.10 99.74 P-1
atom       x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1    .4621 .1278 .8103            .022   .007   .040   .008   .023   .005
As2   -.0476 .3509 .8099            .018   .005   .240  -.002   .015  -.003
Ca1    .6525 .6519 .9093            .016   .005   .048  -.003   .017  -.001
Ca2    .1172 .8458 .9150            .021   .008   .033  -.002   .020  -.002
Ca3    -.148  .304  .422  .5        .059   .040   .011  -.004   .014  -.037
O1      .466  .332  .901     .022
O2      .624 -.002  .900     .018
O3      .266 -.021  .756     .020
O4      .488  .207  .647     .029
O5      .095  .549  .783     .017
O6      .065  .182  .930     .014
O7     -.177  .419  .894     .023
O8     -.178  .232  .649     .016
Wat1    .434  .641  .653  .5 .035
Wat2    .817  .832  .720     .029
Wat3   -.072  .640  .524  .5 .058
Wat4    .137  .287  .540  .5 .036