American Mineralogist Crystal Structure Database

1 matching records for this search.

Bernardevansite
 
Yang H, Gu X, Jenkins R A, Gibbs R B, Downs R T
 
Mineralogical Magazine 87 (2023) 1-8
Bernardevansite, Al2(Se4+O3)3*6H2O, dimorphous with alfredopetrovite
and the Al-analogue of mandarinoite, from the El Dragon mine, Potosi, Bolivia
Locality: El Dragon mine, Potosi, Bolivia
_database_code_amcsd 0021206
16.50160 7.77033 9.85241 90 98.258 90 P2_1/c
atom      x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al1  .39931  .74117  .90754 .692 .01547 .01212 .01898 .01545  .00016  .00249  .00147
Fe1  .39931  .74117  .90754 .308 .01547 .01212 .01898 .01545  .00016  .00249  .00147
Al2  .90506  .24015  .04689 .516 .01409 .01032 .01890 .01344 -.00039  .00308  .00080
Fe2  .90506  .24015  .04689 .484 .01409 .01032 .01890 .01344 -.00039  .00308  .00080
Se1  .98068  .03893  .31646      .01600 .01325 .01977 .01485 -.00036  .00157  .00133
Se2  .22324  .72432  .72881      .01626 .01317 .01988 .01579 -.00048  .00226  .00055
Se3  .52831  .48070  .81382      .01644 .01355 .01976 .01604  .00022  .00222  .00080
O1   .98100  .21292  .42122      .02050 .01539 .02353 .02355 -.00216  .00605 -.00501
O2   .07750 -.03456  .36795      .01982 .01336 .02147 .02356  .00073 -.00099  .00495
O3   .99751  .13689  .16902      .02073 .01531 .03231 .01471 -.00201  .00261  .00358
O4   .31619 -.17993  .76481      .02003 .01578 .02618 .01755 -.00330  .00038 -.00003
O5   .19048 -.17035  .57823      .01981 .01478 .03034 .01484 -.00198  .00395  .00073
O6   .16883 -.16359  .83139      .02188 .01743 .02805 .02108  .00226  .00589  .00144
O7   .52084  .37909  .66117      .02158 .01838 .02878 .01744  .00261  .00206 -.00153
O8   .42967  .54938  .79903      .01816 .01558 .02246 .01626  .00524  .00164  .00109
O9   .47741  .67999  .06857      .01964 .01859 .02250 .01758  .00153  .00167  .00573
O10  .31907 -.42567  .96410      .02047 .01613 .02218 .02357  .00270  .00445  .00280
O11  .36093 -.08497  .02605      .02400 .02700 .02095 .02291 -.00178 -.00038  .00274
O12  .88655  .01172 -.04343      .02209 .01840 .02708 .02173  .00295  .00607 -.00200
O13  .64044  .76237  .07539      .03109 .02720 .02446 .04309 -.00023  .01008  .00468
O14  .25271  .31324  .19373      .04680 .06455 .03583 .04126  .00680  .01186  .00251
O15  .17699  .24489  .42524      .03508 .02312 .03583 .04726 -.00601  .00840 -.01234
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