American Mineralogist Crystal Structure Database

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Tantite
Download hom/tantite.pdf
Stephenson N C, Roth R S
 
Journal of Solid State Chemistry 3 (1971) 145-153
The crystal structure of the high temperature form of Ta2O2
Locality: synthetic
_database_code_amcsd 0013292
3.810 3.810 35.764 90 90. 90 I2
atom      x       y       z occ Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
TaM1   .005 -.00597 .045680 .98       .0189  .0233 .00010  .0053 -.00056 .00028
ScM1   .005 -.00597 .045680 .02       .0189  .0233 .00010  .0053 -.00056 .00028
TaM2 -.0022  .49419  .12514 .98       .0318  .0159 .00011 -.0001 -.00109 .00033
ScM2 -.0022  .49419  .12514 .02       .0318  .0159 .00011 -.0001 -.00109 .00033
TaM3  .4813  .49882 .204530 .98       .0343  .0028 .00012  .0046 -.00165 .00030
ScM3  .4813  .49882 .204530 .02       .0343  .0028 .00012  .0046 -.00165 .00030
O1     .933    .501   .1809      .25
O2     .969    .488   .0712      .77
O3     .429    .492   .1383      .09
O4     .544   -.007   .0526      .39
O5     .458   -.006   .1964     2.17
O6     .146    .487   .2420     1.42
O7     .136     .25       0  .5 1.01
O8     .005    .996   .1122     1.39
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