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American Mineralogist Crystal Structure Database

1 matching records for this search.

Simferite
Download hom/simferite.pdf 
Yakubovich O V, Bairakov V V, Simonov M A
  
Doklady Akademii Nauk SSSR 307 (1989) 1119-1122
Crystal structure of simferite Li(Mg,Fe3+,Mn3+)2[PO4]2
_database_code_amcsd 0012480
4.7468 10.101 5.8992 90 90 90 Pbnm
atom      x      y     z occ Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Li        0      0     0  .5  1.2 .009986 .002940 .010776 -.002086 -.002678 -.002937
Mg   -.0242 .27780   .25  .5  .77 .008987 .001911 .005244 -.000261        0        0
Fe3+ -.0242 .27780   .25  .3  .77 .008987 .001911 .005244 -.000261        0        0
Mn3+ -.0242 .27780   .25  .2  .77 .008987 .001911 .005244 -.000261        0        0
P     .4173 .09608   .25      .63 .006879 .001519 .004669        0        0        0
O1    .7357  .1084   .25      .99 .006990 .003161 .007902 -.000574        0        0
O2    .1809  .4520   .25     1.04 .013536 .001691 .008980  .000261        0        0
O3    .2763  .1683 .0462     1.06 .011761 .002965 .006825  .000782 -.000089  .001091


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