Ferrarisite
Catti M, Chiari G, Ferraris G
Bulletin de Mineralogie 103 (1980) 541-546
The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O:
disorder, hydrogen bonding, and polymorphism with guerinite
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0012071
8.294 6.722 11.198 106.16 92.94 99.20 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)
Ca1  .68248 .61888 .92486           .0109  .0112  .0190  .0026  .0032  .0052
Ca2  .14429 .80632 .92317           .0121  .0112  .0150  .0017  .0033  .0044
Ca3       0      0     .5           .0211  .0292  .0130  .0049  .0042  .0059
As1  .52429 .05829 .84251           .0099  .0099  .0137  .0018  .0021  .0047
As2  .00723 .26663 .83694            .010  .0095  .0119  .0017  .0032  .0042
O1    .4977  .2986  .9207           .0138  .0093  .0253  .0050  .0070  .0055
O2    .6562 -.0360  .9197           .0152  .0133  .0203  .0048 -.0019  .0085
O3    .3459 -.1116  .7934           .0115  .0160  .0182 -.0008  .0013  .0041
Oh4   .5964  .0666  .7006           .0145  .0354  .0169  .0010  .0033  .0105
O5    .1501  .4493  .8080           .0198  .0133  .0218 -.0002  .0083  .0061
O6    .0847  .1522  .9389           .0127  .0121  .0153  .0060  .0002  .0064
O7   -.1465  .3721  .9066           .0143  .0154   .020  .0080  .0066  .0063
O8   -.0725  .0764  .7029           .0212  .0172  .0119  .0004  .0026  .0023
Ow1   .4747  .5309  .7443           .0226  .0190  .0293  .0024  .0014  .0087
Ow2   .8929  .7139  .7724           .0278  .0155  .0237  .0044  .0013  .0082
Ow3   .1105  .3627  .5552            .064   .046   .033  -.017   .001   .014
Ow4   .2554 -.0531  .5718            .041   .132   .032   .043   .004   .028
Wat5  .6911  .4288  .5697  .5        .057   .019    .03   .002    .03   .006
HOh4    .69   .081   .712     .038
Hw1    .381   .471   .777     .038
Hw21   .901   .843   .747     .038
Hw22   .876   .596   .706     .038
Hw31   .212   .447   .514     .038
Hw32   .133   .429   .647     .038
Hw4    .253  -.068   .657     .038