Heulandite-Ca
Comodi P, Gatta G D, Zanazzi P F
European Journal of Mineralogy 13 (2001) 497-505
High-pressure structural behaviour of heulandite
Sample: P = .0001 GPa
_database_code_amcsd 0006866
17.729 17.909 7.433 90 116.52 90 C2/m
atom      x     y     z   occ  Uiso
NaCS1 .1523     0 .6735   .43  .045
KCS1  .1523     0 .6735   .10  .045
CaCS1 .1523     0 .6735 .1625  .045
BaCS1 .1523     0 .6735 .0075  .045
SrCS1 .1523     0 .6735 .2175  .045
CaCS2 .0398    .5 .2024    .5  .033
AlT1  .1795 .1698 .0966  .192 .0144
SiT1  .1795 .1698 .0966  .808 .0144
SiT2  .2109 .4098 .4988  .637 .0150
AlT2  .2109 .4098 .4988  .363 .0150
SiT3  .2084 .1903 .7174  .801 .0145
AlT3  .2084 .1903 .7174  .199 .0145
SiT4  .0645 .2978 .4100  .806 .0146
AlT4  .0645 .2978 .4100  .194 .0146
SiT5      0 .2126     0  .666 .0154
AlT5      0 .2126     0  .334 .0154
O1    .1940    .5  .455        .029
O2    .2317 .1190 .6143        .031
O3    .1829 .1533 .8849        .028
O4    .2388 .1068 .2567        .027
O5        0 .3252    .5        .032
O6    .0821 .1579 .0642        .023
O7    .1272 .2349 .5483        .037
O8    .0084 .2659 .1841        .030
O9    .2105 .2540 .1750        .029
O10   .1148 .3724 .3962        .026
Wat1  .2242    .5 -.009        .052
Wat2   .080     0  .880        .106
Wat3  .0773 .4173  .970        .065
Wat4      0    .5    .5        .077
Wat5      0  .091    .5         .19
Wat6   .095     0  .288        .121