Chabazite-Ca
Calligaris M, Nardin G, Randaccio L
Acta Crystallographica B38 (1982) 602-605
Cation-site location in a natural chabazite
Locality: Northeast Azerbaijan
_database_code_amcsd 0017693
9.421 9.421 9.421 94.20 94.20 94.20 R-3m
atom     x      y     z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .2038  .2038 .2038 .4365       .0197  .0197  .0123  .0123  .0123  .0123
Sr1  .2038  .2038 .2038 .0935       .0197  .0197  .0123  .0123  .0123  .0123
Ca2  .4065  .4065 .4065 .1976       .0121  .0121  .0121 -.0019 -.0019 -.0019
Sr2  .4065  .4065 .4065 .0424       .0121  .0121  .0121 -.0019 -.0019 -.0019
Ca3      0      0     0 .0906       .0169  .0161  .0161  .0059  .0059  .0059
Sr3      0      0     0 .0194       .0169  .0161  .0161  .0059  .0059  .0059
Al1  .1044  .3338 .8749  .317       .0028  .0023  .0037  .0002  .0002  .0000
Si1  .1044  .3338 .8749  .692       .0028  .0023  .0037  .0002  .0002  .0000
O1   .2638 -.2638     0             .0065  .0065  .0111 -.0001 -.0033 -.0033
O2   .1548 -.1548    .5             .0076  .0076  .0027  .0014  .0005  .0005
O3   .2515  .2515 .8946             .0053  .0053  .0126  .0022  .0007  .0007
O4   .0248  .0248 .3277             .0063  .0063  .0097  .0024  .0015  .0015
Wat5 .4180  .4180 .7599   .57  5.4
Wat6    .5     .5     0   .50  5.8
Wat7 .2024  .3101 .4913   .23  9.9