American Mineralogist Crystal Structure Database

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Grossular
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Arni R, Langer K, Tillmanns E
 
Physics and Chemistry of Minerals 12 (1985) 279-282
Mn3+ in garnets III. Absence of Jahn-Teller distortion
in synthetic Mn3+ -bearing garnet
_database_code_amcsd 0007369
11.867 11.867 11.867 90 90 90 Ia3d
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX   .125     0   .25 .81  .0051  .0091  .0091      0      0  .0030
MnX   .125     0   .25 .19  .0051  .0091  .0091      0      0  .0030
AlY      0     0     0 .64  .0047  .0047  .0047  .0001  .0001  .0001
MnY      0     0     0 .36  .0047  .0047  .0047  .0001  .0001  .0001
Si    .375     0   .25      .0082  .0073  .0073      0      0      0
O    .0374 .0470 .6532       .009   .008   .009  .0010  .0005  .0001
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