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 #33 from Tittling
Note: U(1,2) of WatB/NaB/KC changed to match symmetry constraints
_database_code_amcsd 0001416
10.404 10.404 13.825 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  .2410 .492 .0154
YA      1/3    2/3  .2410 .008 .0154
NaB     1/3    2/3  .0349 .060       0.0427 0.0427 0.0900 .02135      0      0
WatB    1/3    2/3  .0349 .180       0.0427 0.0427 0.0900 .02135      0      0
KC        0      0    .25            0.0183 0.0183 0.0204 .00915      0      0
Si1  .08168 .33625 .11257            0.0087 0.0103 0.0073 0.0047 -.0003 -.0007
Al2       0     .5    .25 .243       0.0098 0.0093 0.0081 0.0049      0      0
Be2       0     .5    .25 .757       0.0098 0.0093 0.0081 0.0049      0      0
O1    .0946  .3830      0            0.0298 0.0208 0.0068 0.0129      0      0
O2    .1951  .2759  .1340            0.0169 0.0230 0.0162 0.0145 -.0022 -.0024
O3    .1154  .4729  .1804            0.0131 0.0125 0.0112 0.0070 -.0006 -.0024