Saint-Jean S J, Hansen S
Solid State Sciences 7 (2005) 97-102
Nonstoichiometry in chlorellestadite
Locality: synthetic
Sample: Stoichiometric
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
Sample: Nonstoichiometric
9.5608 9.5608 6.8949 90 90 120 P6_3/m
Ca1 1/3 2/3 .0024 2.6
Ca2 .2548 -.0046 .25 .9 2.1
Si .4025 .3792 .25 .5 2.0
S .4025 .3792 .25 .5 2.0
O1 .3299 .4835 .25 2.7
O2 .579 .464 .25 2.7
O3 .3410 .2535 .0729 2.7
Cl 0 0 .451 .2 6.9
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Total number of retrieved datasets: 2 View in amc, download in amc
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