American Mineralogist Crystal Structure Database

1 matching records for this search.

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 (after compression)
_database_code_amcsd 0006869
17.774 17.824 7.438 90 116.38 90 C2/m
atom      x     y     z   occ  Uiso
NaCS1 .1543     0 .6757   .43  .044
KCS1  .1543     0 .6757   .10  .044
CaCS1 .1543     0 .6757 .1625  .044
BaCS1 .1543     0 .6757 .0075  .044
SrCS1 .1543     0 .6757 .2175  .044
CaCS2 .0408    .5 .2003    .5  .028
AlT1  .1796 .1682 .0957  .192 .0142
SiT1  .1796 .1682 .0957  .808 .0142
SiT2  .2109 .4098 .4985  .637 .0143
AlT2  .2109 .4098 .4985  .363 .0143
SiT3  .2088 .1910 .7183  .801 .0138
AlT3  .2088 .1910 .7183  .199 .0138
SiT4  .0643 .2984 .4111  .806 .0145
AlT4  .0643 .2984 .4111  .194 .0145
SiT5      0 .2115     0  .666 .0165
AlT5      0 .2115     0  .334 .0165
O1    .1953    .5  .450        .028
O2    .2316 .1206 .6116        .029
O3    .1854 .1524 .8855        .029
O4    .2403 .1059 .2566        .027
O5        0 .3266    .5        .034
O6    .0833 .1558 .0626        .025
O7    .1271 .2348 .5542        .038
O8    .0094 .2658 .1863        .035
O9    .2099 .2532 .1756        .027
O10   .1151 .3726 .3975        .028
Wat1  .2223    .5 -.009        .048
Wat2  .0795     0  .875        .111
Wat3  .0769 .4172  .969        .062
Wat4      0    .5    .5        .074
Wat5      0 .0909    .5         .21
Wat6   .097     0  .291         .13
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