Piemontite
Dollase W A
American Mineralogist 54 (1969) 710-717
Crystal structure and cation ordering of piemontite
_database_code_amcsd 0000191
8.878 5.692 10.201 90 115.40 90 P2_1/m
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .7574   .75 .1533      .77  .0044  .0065  .0025      0  .0025      0
Ca2  .5979   .75 .4250 .87  .81  .0029  .0104  .0014      0  .0005      0
Sr2  .5979   .75 .4250 .13  .81  .0029  .0104  .0014      0  .0005      0
Si1  .3410   .75 .0448      .52
Si2  .6846   .25 .2745      .51
Si3  .1855   .75 .3197      .35
Al1      0     0     0 .80  .47
Mn1      0     0     0 .14  .47
Fe1      0     0     0 .06  .47
Al2      0     0    .5      .56
Mn3  .2957   .25 .2216 .58  .39  .0009  .0036  .0014      0  .0004      0
Fe3  .2957   .25 .2216 .25  .39  .0009  .0036  .0014      0  .0004      0
Al3  .2957   .25 .2216 .17  .39  .0009  .0036  .0014      0  .0004      0
O1   .2330 .9912 .0356      .81
O2   .3058 .9795 .3550      .80
O3   .7963 .0163 .3378      .81
O4   .0588   .25 .1318      .59
O5   .0424   .75 .1473      .70
O6   .0686   .75 .4091      .62
O7   .5145   .75 .1805      .80
O8   .5276   .25 .3140      .92
O9   .6208   .25 .0986      .99  .0057   .015  .0023      0  .0030      0
O10  .0868   .25 .4330      .60
H1     .04   .25   .36