American Mineralogist Crystal Structure Database

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Tunisite
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Effenberger H, Kluger F, Pertlik F, Zemann J
 
Tschermaks Mineralogische und Petrographische Mitteilungen 28 (1981) 65-77
Tunisit: kristallstruktur und revision der chemischen formel
_database_code_amcsd 0015681
11.1983 11.1983 6.5637 90 90 90 *P4/nmm
.25 -.25 0
atom      x       y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na      .25     .25 .93704 2.55 .00328 .00328 .02514       0       0       0
Ca        0       0      0 2.56 .00579 .00579 .01065  .00464 -.00604 -.00604
Al   .40479 -.40479     .5  .52 .00097 .00097 .00342  .00000 -.00002 -.00002
C       .25  .51396 .15653  .67 .00126 .00135 .00398       0       0  .00022
O_c3 .46093  .64970 .75908  .90 .00266 .00116 .00449 -.00014 -.00084 -.00009
O_c4    .25  .46534 .98187 1.26 .00292 .00340 .00339       0       0 -.00142
O_h1    .25  .90696 .59918  .74 .00123 .00221 .00274       0       0 -.00041
O_h2 .43878  .43878 .60715  .77 .00118 .00118 .00645 -.00014  .00009  .00009
H1      .25    .934   .720  .77
H2     .391    .391   .577 2.21
Cl      .25     .25 .46863 2.46 .00201 .00201 .03084       0       0       0
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