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 = 3.4 GPa
_database_code_amcsd 0006868
17.124 17.376 7.237 90 116.93 90 C2/m
atom      x    y    z   occ Uiso
NaCS1 .1431    0 .673   .43 .038
KCS1  .1431    0 .673   .10 .038
CaCS1 .1431    0 .673 .1625 .038
BaCS1 .1431    0 .673 .0075 .038
SrCS1 .1431    0 .673 .2175 .038
CaCS2  .027   .5 .158    .5  .09
AlT1   .183 .166 .103  .192 .013
SiT1   .183 .166 .103  .808 .013
SiT2  .2014 .415 .479  .637 .014
AlT2  .2014 .415 .479  .363 .014
SiT3  .2075 .189 .719  .801 .017
AlT3  .2075 .189 .719  .199 .017
SiT4  .0563 .293 .393  .806 .017
AlT4  .0563 .293 .393  .194 .017
SiT5      0 .199    0  .666 .019
AlT5      0 .199    0  .334 .019
O1     .168   .5 .407        .06
O2     .227 .117 .612       .041
O3     .179 .148 .887       .027
O4     .256 .101 .264       .027
O5        0 .338   .5        .05
O6     .088 .144 .096       .019
O7     .120 .239 .548       .048
O8    -.007 .248 .177       .031
O9     .209 .252 .175       .016
O10    .106 .359 .350       .033
Wat1   .229   .5 .005        .03
Wat2   .079    0 .884        .09
Wat3   .088 .407 .942        .09
Wat4      0   .5   .5        .09
Wat5      0 .093   .5        .08
Wat6   .104    0 .319        .05