Milarite
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #25 from Guanajuato
Note: U(1,2) of WatB/NaB changed to match symmetry constraints
10.410 10.410 13.845 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA     1/3    2/3  .2437   .5 .0189
NaB     1/3    2/3  .0404 .047       0.0685 0.0685 0.0695 .03425      0      0
WatB    1/3    2/3  .0404 .167       0.0685 0.0685 0.0695 .03425      0      0
KC        0      0    .25            0.0206 0.0206 0.0204 0.0103      0      0
Si1  .08239 .33642 .11217            0.0100 0.0117 0.0067 0.0053 -.0005 -.0008
Al2       0     .5    .25  .27       0.0110 0.0101 0.0074 0.0055      0      0
Be2       0     .5    .25  .73       0.0110 0.0101 0.0074 0.0055      0      0
O1    .0954  .3835      0            0.0290 0.0222 0.0071 0.0128      0      0
O2    .1957  .2761  .1342            0.0178 0.0244 0.0160 0.0146 -.0017 -.0029
O3    .1160  .4730  .1804            0.0145 0.0138 0.0104 0.0074 -.0003 -.0028