American Mineralogist Crystal Structure Database

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Sabelliite
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Olmi F, Sabelli C, Trosti-Ferroni R
 
European Journal of Mineralogy 7 (1995) 1331-1337
The crystal structure of sabelliite
_database_code_amcsd 0006608
8.197 8.197 7.312 90 90 120 P-3
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu   .4253 .2904 .0180      .93  .0047  .0029  .0060  .0021  .0009  .0002
Zn1      0     0     0 .64  .45  .0019  .0019  .0028  .0009      0      0
Zn2  .2314 .0033 .4086 .37 1.17  .0055  .0062  .0054  .0031  .0010  .0006
As     2/3   1/3 .4487     1.73  .0093  .0093  .0067  .0046      0      0
As       0     0 .2348 .20 1.12  .0049  .0049  .0065  .0024      0      0
Sb       0     0 .2348 .21 1.12  .0049  .0049  .0065  .0024      0      0
O1   .3693 .4820 .1103      .88  .0041  .0043  .0051  .0027  .0001 -.0003
O2   .2330 .0727 .1644     1.81  .0089  .0060  .0108  .0032  .0042  .0009
O3   .2613 .4496 .4650     2.30  .0164  .0082  .0090  .0060  .0021 -.0010
O4       0     0   1/2     2.00  .0079  .0079  .0130  .0040      0      0
O5     2/3   1/3 .2235     1.68  .0095  .0095  .0056  .0047      0      0
H     .350  .470  .220     3.30
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