Ellestadite-(Cl)
Saint-Jean S J, Hansen S
Solid State Sciences 7 (2005) 97-102
Nonstoichiometry in chlorellestadite
Locality: synthetic
Sample: Stoichiometric
_database_code_amcsd 0015528
9.6773 9.6773 6.8585 90 90 120 P6_3/m
atom      x      y      z occ Biso
Ca1     1/3    2/3 -.0051      2.0
Ca2   .2592 -.0045    .25      2.1
Si    .4073  .3738    .25  .5  1.3
S     .4073  .3738    .25  .5  1.3
O1    .3395  .4941    .25      2.1
O2    .5859  .4716    .25      2.1
O3    .3444  .2625  .0673      2.1
Cl        0      0   .451  .5  6.9