American Mineralogist Crystal Structure Database

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Dovyrenite
 
Kadiyski M, Armbruster T, Galuskin E V, Pertsev N N, Zadov A E, Galuskina I O,
Wrzalik R, Dzierzanowski P, Kislov E V
Download am/vol93/AM93_456.pdf
American Mineralogist 93 (2008) 456-462
The modular structure of dovyrenite, Ca6Zr[Si2O7]2(OH)4: alternate stacking of
tobermorite and rosenbuschite-like units
Locality: skarndolomite xenoliths, Dovyren massif, Russia
_database_code_amcsd 0004531
5.666 18.844 3.728 90 90 90 Pnnm
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .1796 .1958     0     .0114  .0116  .0160  .0065  .0025      0      0
Ca2      .5    .5     0  .5 .0170  .0080  .0310  .0120 -.0070      0      0
Ca3       0    .5    .5  .5 .0156  .0238  .0063  .0166  .0015      0      0
Zr3       0    .5    .5  .5 .0156  .0238  .0063  .0166  .0015      0      0
Si    .1699 .3593 .0703  .5 .0102  .0140  .0086  .0080  .0026 -.0023  .0015
O1   -.0497 .3081     0     .0140  .0190  .0150  .0090  .0000      0      0
OH2   .1730 .0636     0     .0300  .0490  .0120  .0310 -.0010      0      0
O3    .4153 .3204     0     .0140  .0120  .0140  .0150  .0040      0      0
O4    .1480 .4389 .1060  .5 .0160  .0230  .0120  .0150 -.0080  .0000 -.0100
O5    .1560 .3807    .5  .5 .0250  .0310  .0250  .0190  .0190      0      0
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