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 = 1.45 GPa
_database_code_amcsd 0006867
17.481 17.625 7.345 90 116.73 90 C2/m
atom      x    y     z   occ Uiso
NaCS1 .1503    0  .675   .43 .043
KCS1  .1503    0  .675   .10 .043
CaCS1 .1503    0  .675 .1625 .043
BaCS1 .1503    0  .675 .0075 .043
SrCS1 .1503    0  .675 .2175 .043
CaCS2  .033   .5  .185    .5 .028
AlT1  .1818 .164  .101  .192 .014
SiT1  .1818 .164  .101  .808 .014
SiT2  .2071 .409  .490  .637 .019
AlT2  .2071 .409  .490  .363 .019
SiT3  .2072 .189  .716  .801 .012
AlT3  .2072 .189  .716  .199 .012
SiT4  .0606 .295  .403  .806 .018
AlT4  .0606 .295  .403  .194 .018
SiT5      0 .205     0  .666 .018
AlT5      0 .205     0  .334 .018
O1     .191   .5  .451        .04
O2     .229 .120  .607       .020
O3     .182 .144  .884       .031
O4     .248 .105  .264       .020
O5        0 .329    .5       .029
O6     .087 .146  .085       .027
O7     .127 .240  .550       .045
O8     .003 .261  .185       .029
O9     .207 .257  .170       .033
O10    .112 .367  .376       .036
Wat1   .223   .5 -.003        .04
Wat2   .079    0  .875        .08
Wat3   .078 .408  .948        .06
Wat4      0   .5    .5        .07
Wat5      0 .084    .5        .21
Wat6   .101    0  .321        .07
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