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American Mineralogist Crystal Structure Database

1 matching records for this search.

Arctite
Download hom/arctite.pdf 
Sokolova E V, Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P
  
Doklady Akademii Nauk SSSR 274 (1984) 78-83
The crystal structure of a new phosphate of Na,Ca and Ba: (Na5Ca)Ca6Ba(PO4)6F3
_database_code_amcsd 0012475
14.366 14.366 14.366 28.58 28.58 28.58 R-3m
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1   .3130  .3130  .7828 5/6 .00521 .00521 .00697 -.00271 -.00243 -.00243
Ca1   .3130  .3130  .7828 1/6 .00521 .00521 .00697 -.00271 -.00243 -.00243
Ca   .44308 .44308  .9283     .00535 .00535 .00467 -.00210 -.00223 -.00223
Ba        0      0      0     .00474 .00474 .00474 -.00216 -.00216 -.00216
P1   .67541 .67541 .67541     .00494 .00494 .00494 -.00230 -.00230 -.00230
P2   .20725 .20725 .20725     .00386 .00386 .00386 -.00169 -.00169 -.00169
P3   .08372 .08372 .08372     .00386 .00386 .00386 -.00176 -.00176 -.00176
O1    .1207  .1207  .1207     .01151 .01151 .01151 -.00541 -.00541 -.00541
O2    .1900  .1900  .8345     .00684 .00684 .00210 -.00379 -.00121 -.00121
O3    .1938  .1938  .5445     .00731 .00731 .00514 -.00474 -.00223 -.00223
O4    .2450  .2450  .2450     .01558 .01558 .01558 -.00745 -.00745 -.00745
O5    .3621  .3621  .3621     .00948 .00948 .00948 -.00453 -.00453 -.00453
O6    .3146  .3146  .9599     .00968 .00968 .00304 -.00406 -.00203 -.00203
F1       .5     .5     .5     .00474 .00474 .00474 -.00216 -.00216 -.00216
F2   .42926 .42926 .42926     .00860 .00867 .00860 -.00406 -.00406 -.00406


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	Total number of retrieved datasets: 1

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