Jasmundite
Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
_database_code_amcsd 0020211
10.452 10.452 8.6977 90 90 90 I4/mmm
atom      x      y      z occ Biso
Ca1       0 .24959 .30015 .94 1.70
Mg1       0 .24959 .30015 .06 1.70
Ca2       0      0      0 .88  .54
Mg2       0      0      0 .12  .54
Ca3       0     .5      0 .97  .95
Mg3       0     .5      0 .03  .95
Si   .21042 .21042      0      .61
O1    .1795  .3637      0     1.18
O2    .1447  .1447  .1507      .94
O3        0     .5    .25     1.98
S         0      0     .5     1.11