American Mineralogist Crystal Structure Database

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Peretaite
Download hom/peretaite.pdf
Menchetti S, Sabelli C
Download am/vol65/AM65_940.pdf
American Mineralogist 65 (1980) 940-946
Peretaite, CaSb4O4(OH)2(SO4)2*2H2O: Its atomic arrangement and twinning
_database_code_amcsd 0000796
24.665 5.6006 10.185 90 95.98 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sb1  .29249 .50504 .51525      0.0002 0.0072 0.0023 0.0001 0.0002 0.0016
Sb2  .31537 .05196 .26706      0.0003 0.0048 0.0018 0.0002 0.0002 -.0001
Ca       .5  .1856    .25      0.0003 0.0083 0.0022      0 0.0001      0
S     .4201 -.0163  .5184      0.0003 0.0083 0.0023 -.0001 0.0001 0.0004
O1    .3600  .0049  .5276      0.0003 0.0253 0.0049 0.0003 0.0003 0.0001
O2    .4296  .0463  .3829      0.0006 0.0142 0.0036 0.0001 0.0004 0.0028
O3    .4511  .1391  .6159      0.0008 0.0121 0.0040 0.0003 -.0003 -.0023
O4    .4378 -.2635  .5487      0.0010 0.0065 0.0033 0.0001 -.0001 0.0007
O5    .4446  .5206  .3043      0.0005 0.0090 0.0039 -.0004 0.0003 -.0005
O6    .2609  .1778  .3871      0.0001 0.0068 0.0018 -.0002 0.0004 -.0001
O7    .2625  .1787  .1146      0.0002 0.0052 0.0011 -.0003 -.0001 0.0003
O8    .3394  .3860  .2667      0.0003 0.0066 0.0041 -.0003 0.0002 0.0001
H1     .450   .600   .210   4.
H2     .450   .660   .380   4.
H3     .382   .420   .285   4.
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