American Mineralogist Crystal Structure Database

1 matching records for this search.

Fredrikssonite
Download hom/fredrikssonite.pdf
Burns P C, Cooper M A, Hawthorne F C
Download cm/vol32/CM32_397.pdf
The Canadian Mineralogist 32 (1994) 397-403
Jahn-Teller-distorted MnO6 octahedra in fredrikssonite, the fourth polymorph
of Mg2Mn(BO3)O2
_database_code_amcsd 0005368
9.198 12.528 2.965 90 90 90 Pbam
atom      x      y  z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0      0  0      .0057  .0058  .0069 -.0007      0      0
Mg2      .5      0 .5 .92  .0071  .0054  .0075  .0014      0      0
Fe2      .5      0 .5 .08  .0071  .0054  .0075  .0014      0      0
Mg3   .0048  .2800  0      .0062  .0054  .0067  .0009      0      0
Mn4  .74115 .38458 .5 .78  .0044  .0053  .0054 -.0001      0      0
Fe4  .74115 .38458 .5 .20  .0044  .0053  .0054 -.0001      0      0
Al4  .74115 .38458 .5 .02  .0044  .0053  .0054 -.0001      0      0
B     .2782  .3598 .5      .0088  .0073  .0027 -.0006      0      0
O1    .8536  .0449 .5      .0065  .0076  .0080  .0015      0      0
O2    .3807  .0786  0      .0069  .0052  .0083 -.0006      0      0
O3    .6277  .1423 .5      .0058  .0061  .0093  .0001      0      0
O4    .1130  .1422  0      .0064  .0070  .0082  .0003      0      0
O5    .8559  .2349 .5      .0065  .0070  .0087 -.0016      0      0
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