Jaffeite
Yamnova N A, Sarp K, Egorov-Tismenko Y K, Pushcharovskii D Y
Crystallography Reports 38 (1993) 464-467
Crystal structure of jaffeite
Locality: metamorphic rocks, Kombat region, Namibia
_database_code_amcsd 0012342
10.035 10.035 7.499 90 90 120 P3
atom     x     y      z Biso
Ca1  .6689 .0455 -.0121  .07
Ca2  .6665 .0426  .4987  1.0
Ca3  .0492 .3886  .2413   .7
Ca4  .0397 .3738  .7431  1.5
Si1    2/3   1/3  .7106  .70
Si2    2/3   1/3  .2658 1.23
Si3    1/3   2/3  .0246  .61
Si4    1/3   2/3  .4609  .19
O1     2/3   1/3   .500  3.1
O2     1/3   2/3   .254  2.3
O3   .5960  .147   .229   .9
O4   .5910 .1475   .765  1.3
O5   .1592 .5556  -.023   .5
O6   .1564 .5594   .519  1.0
Oh7  .2229 .3028   .256   .5
Oh8  .2087 .2681   .742  1.8
Oh9  .9278 .2062   .003   .8
Oh10 .9278 .2072  .4933  1.1
H1    .152  .158   .733  4.5
H2    .158  .004   .003  4.5
H3    .167  .014   .506  4.5
H4    .148  .161   .231  4.5