American Mineralogist Crystal Structure Database

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Topaz
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Alberico A, Ferrando S, Ivaldi G, Ferraris G
 
European Journal of Mineralogy 15 (2003) 875-881
X-ray single-crystal structure refinement of an OH-rich topaz from Sulu UHP terrane
(Eastern China) - Structural foundation of the correlation between cell parameters
and fluorine content
Locality: Sulu UHP terrane, Eastern China
_database_code_amcsd 0007017
4.6696 8.8486 8.3915 90 90 90 Pbnm
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al   .90543 .13126 .08148     .00543 .00555 .00531 .00544  .00012 -.00009 -.00012
Si   .40000 .94092    1/4     .00471 .00465 .00482 .00467  .00017       0       0
O1   .79373 .53096    1/4     .00619 .00546 .00702 .00610  .00087       0       0
O2   .45186 .75634    1/4     .00619 .00705 .00482 .00668  .00063       0       0
O3   .78824 .01025 .90720     .00607 .00588 .00641 .00590  .00101 -.00124  .00010
F    .90221 .75257 .05998 .70 .00823 .00779 .00843 .00846 -.00190  .00054  .00087
O    .90221 .75257 .05998 .30 .00823 .00779 .00843 .00846 -.00190  .00054  .00087
H       .96    .76    .15 .30
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