American Mineralogist Crystal Structure Database

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Cetineite
Download hom/cetineite.pdf
Sabelli C, Nakai I, Katsura S
Download am/vol73/AM73_398.pdf
American Mineralogist 73 (1988) 398-404
Crystal structures of cetineite and its synthetic Na analogue
Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
_database_code_amcsd 0001144
14.2513 14.2513 5.5900 90 90 120 P6_3
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sb1A    1/3    2/3  .8736  .5 .00349 .00349 .00492  .00174       0       0
Sb1B    1/3    2/3  .6262  .5 .00216 .00216 .02003  .00108       0       0
Sb2  .16515 .44827  .2507     .00255 .00280 .01490  .00152  .00093  .00027
Sb3  .38670 .40287  .2518     .00243 .00220 .01043  .00133  .00038  .00166
K     .1814  .2814  .7471 .80 .00485 .00882 .01802  .00488  .00054 -.00302
S     .3620  .5293  .7187     .00349 .00257 .07740  .00182  .00348 -.00174
Na        0      0  .4904 .58 .00181 .00181 .01509  .00090       0       0
O1    .2275  .3513  .2334     .00227 .00293 .01650  .00174  .00288  .00111
O2    .0646  .3541  .5020     .00279 .00340 .00314  .00123  .00286  .00161
O3    .0595  .3589 -.0002     .00491 .00338 .03122  .00230 -.00128  .00195
Wat   .0920  .1401  .2230 .94 .01421 .00739 .03514 -.00138  .01246  .00876
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