Roselite
Hawthorne F C, Ferguson R B
The Canadian Mineralogist 15 (1977) 36-42
The crystal structure of roselite
_database_code_amcsd 0005135
5.801 12.898 5.617 90 107.42 90 P2_1/c
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg        0      0      0 .485 .00467 .00137 .00167       0  .00004       0
Co        0      0      0 .515 .00467 .00137 .00167       0  .00004       0
Ca    .5618  .1216  .2307      .00414 .00139 .00139 -.00037       0  .00001
As   .21612 .12035 .56689      .00184 .00093 .00104 -.00010  .00031 -.00001
O1    .9422  .1739  .4974      .01021 .00146 .00138 -.00033  .00018 -.00016
O2    .2810  .0531  .8384      .00541 .00144 .00189  .00103  .00108 -.00004
O3    .2368  .0352  .3423      .00583 .00167 .00173 -.00106  .00052  .00012
O4    .4382  .2060  .5719      .00355 .00152 .00204 -.00002 -.00004  .00047
Wat   .8154  .1386  .9647      .00626 .00137 .00182 -.00032  .00081 -.00015