Wenkite
Wenk H R
Zeitschrift fur Kristallographie 137 (1973) 113-126
The structure of wenkite
Locality: Cava Mergozzoni, Candoglia, Norvara, Italy
_database_code_amcsd 0010743
13.515 13.515 7.465 90 90 120 P-62m
atom     x      y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1      0      0  .015  .48  1.2  .0021  .0021  .0104 .00105      0      0
Ba2  .3927      0 .0212   .5 1.05  .0020  .0020  .0149  .0010      0      0
Ca   .2243 -.2753  .488  .41  1.8  .0050  .0033  .0110  .0030      0      0
Al1  .1378 -.3006     0 .651  .67
Si1  .1378 -.3006     0 .349  .67
Al2    1/3   -1/3  .103 .325   .4
Si2    1/3   -1/3  .103 .175   .4
Al3  .1333 -.1335 .2820 .651  .75
Si3  .1333 -.1335 .2820 .349  .75
O1       0  -.400     0       1.9
O2    .207  -.376     0       1.4
O3    .216      0  .208       1.4
O4    .179  -.215  .182       1.8
O5       0  -.171  .219       1.5
OH6    1/3    2/3  .320   .5  1.0
O7    .150  -.144    .5       1.3
S1   .4831      0    .5       1.5
O8    .430      0  .327   .5  6.9
O9    .493  -.406  .394   .5  5.8
O10      0  -.408    .5   .5  5.0
Wat      0      0    .5  .24