American Mineralogist Crystal Structure Database

2 matching records for this search.

Sakhaite
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Yakubovich O V, Steele I M, Gavrilenko P G, Urusov V S
 
Crystallography Reports 50 (2005) 226-234
Crystal structure of sakhaite from the Solongo deposit in connection with
the crystal chemical interpretation of the sakhaite-harkerite mineral series
Locality: Solongo deposit, Vitim Plateau, Buryatia, Zabaykalye, Russia
_database_code_amcsd 0012390
14.679 14.679 14.679 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z   occ  Uiso
Mg         0     .5      0 .8246 .0088
Fe         0     .5      0 .1754 .0088
Ca      .125 .37706   .125       .0249
C        .25    .25      0        .062
B     -.0351  .2851 -.0351 .8774  .012
Si    -.0117  .2617 -.0117 .1226  .012
Al      .375   .375  -.125  .120   .06
O1     .0059  .3603  .0059   .88 .0222
O1'    -.005   .370  -.005   .12 .0222
O2     .2296  .3330  .0204    .5  .064
O3      .442   .308  -.058  .120   .06
Wat4    .350   .400  -.150  .102   .13
Clhcl   .350   .400  -.150  .102   .13
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Tavorite
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Yakubovich O V, Urusov V S
 
Geochemistry International 35 (1997) 630-638
The structure and electron density of Fe2+ -bearing tavorite in relation to the
genetic crystal chemistry of secondary phosphates of lithium pegmatites
Locality: synthetic
_database_code_amcsd 0012660
5.347 7.284 5.132 109.15 97.90 106.52 P-1
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Li1   .6071   .182   .254 .385  1.4 .00915 .01868 .00910 .00704 .00968  .00331
Li2    .631   .295   .278 .115  1.2
Fe1       0     .5      0  1/3  .45 .00366 .00259 .00602 .00109 .00182  .00066
Fe2       0      0      0  1/3  .40 .00417 .00253 .00409 .00101 .00172  .00058
Fe3       0     .5     .5  1/3   .3
P    .63897 .76670 .32444   .5  .41 .00376 .00319 .00386 .00117 .00182  .00091
O1    .6599  .8780  .1142   .5  .69 .00651 .00596 .00659 .00172 .00537  .00182
O2    .3413  .6600  .3107   .5  .71 .00396 .00536 .00784 .00047 .00279  .00091
O3    .9478  .2743  .1521   .5  .72 .00783 .00343 .01046 .00227 .00387  .00231
O4    .7879  .6122  .2662   .5  .85 .00966 .00632 .01046 .00548 .00505  .00372
O5    .2424  .0711  .3675   .5  .73 .00773 .00512 .00443 .00195 .00107 -.00024
H       .04    .27    .32   .5  2.1
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Total number of retrieved datasets: 2
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