American Mineralogist Crystal Structure Database

2 matching records for this search.

Tavorite
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Marx N, Croguennec L, Carlier D, Wattiaux A, Le Cras F, Suard E, Delmas C
 
Dalton Transactions 39 (2010) 5108-5116
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U
studies and its preliminary electrochemical characterization
Locality: synthetic
_database_code_amcsd
5.3528 7.2896 5.1187 109.359 97.733 106.359 P-1
atom    x    y    z Biso
Li   .610 .187 .255  1.4
Fe1     0   .5    0   .5
Fe2     0    0    0  1.0
P    .638 .769 .326   .5
O1   .660 .879 .112   .7
O2   .338 .664 .313  1.0
O3   .950 .278 .163   .7
O4   .789 .614 .268  1.0
O5   .241 .066 .367   .9
H    .069 .342 .355  3.0
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Tavorite
Download hom/tavorite.pdf
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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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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