Piemontite
Catti M, Ferraris G, Ivaldi G
American Mineralogist 73 (1988) 1370-1376
Thermal behavior of the crystal structure of strontian piemontite
Sample: T = 800 C
_database_code_amcsd 0001203
8.934 5.727 10.30 90 115.26 90 P2_1/m
atom      x     y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1   .7605   .75  .1550      .01091 .01707 .00651       0 .00581       0
Ca2   .5959   .75  .4208 .799 .00850 .02949 .00501       0 .00259       0
Sr    .5959   .75  .4208 .201 .00850 .02949 .00501       0 .00259       0
Al1       0     0      0 .810 .00428 .00853 .00380 -.00070 .00169 -.00051
Mn1       0     0      0 .136 .00428 .00853 .00380 -.00070 .00169 -.00051
Fe1       0     0      0 .054 .00428 .00853 .00380 -.00070 .00169 -.00051
Al2       0     0     .5      .00440 .00899 .00420 -.00032 .00179 -.00009
Al3  .29447   .25 .22185 .059 .00367 .01295 .00440       0 .00166       0
Mn3  .29447   .25 .22185 .672 .00367 .01295 .00440       0 .00166       0
Fe3  .29447   .25 .22185 .269 .00367 .01295 .00440       0 .00166       0
Si1   .3390   .75  .0426      .00440 .00983 .00340       0 .00199       0
Si2   .6851   .25  .2757      .00390 .01059 .00340       0 .00179       0
Si3   .1841   .75  .3182      .00390 .00998 .00331       0 .00199       0
O1    .2337 .9882  .0358      .00658 .01600 .00777  .00167 .00418  .00187
O2    .3035 .9780  .3550      .00720 .01600 .00576 -.00280 .00298  .00009
O3    .7949 .0183  .3411      .00608 .01143 .00576  .00140 .00079 -.00009
O4    .0598   .25  .1295      .00497 .01372 .00345       0 .00179       0
O5    .0433   .75  .1471      .00574 .01600 .00345       0 .00169       0
O6    .0656   .75  .4050      .00727 .01372 .00547       0 .00465       0
O7    .5117   .75  .1739      .00574 .02362 .00489       0 .00066       0
O8    .5250   .25  .3090      .00497 .03048 .00777       0 .00435       0
O9    .6301   .25  .1031      .01646 .03811 .00432       0 .00564       0
OH10  .0811   .25  .4304      .00727 .00838 .00576       0 .00431       0