American Mineralogist Crystal Structure Database

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Gugiaite
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Yang Z, Fleck M, Pertlik F, Tillmanns E, Tao K
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 186-192
The crystal structure of natural gugiaite, Ca2BeSi2O7
Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China
Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths
_database_code_amcsd 0014911
7.4330 7.4330 4.9970 90 90 90 P-42_1m
atom      x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .16376 .66376 -.48894 .0177  .0186  .0186  .0161 -.0039 -.0007 -.0007
Be        0      0       0 .0038  .0047  .0047  .0020      0      0      0
Si   .35325 .85325  -.0396 .0138  .0134  .0134  .0145 -.0004 -.0003 -.0003
O1       .5      0   .8359 .0172  .0172  .0172  .0170 -.0018      0      0
O2    .3594  .8594   .2786 .0162  .0164  .0164  .0158 -.0006 -.0001 -.0001
O3    .3332  .4144   .1816 .0174  .0135  .0222  .0164 -.0026 -.0004  .0026
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