American Mineralogist Crystal Structure Database

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Brownmillerite
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Redhammer G J, Tippelt G, Roth G, Amthauer G
American Mineralogist 89 (2004) 405-420
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
Single-crystal X-ray diffraction at 25 deg C and high temperature
X-ray powder diffraction (25 C <= T <= 1000 C)
Sample: bht095_2
Locality: synthetic
_database_code_amcsd 0003437
5.3510 14.5256 5.5685 90 90 90 I2mb
atom     x      y      z  occ  Uiso
Ca   .4913 .10859 .02718      .0062
FeM  .0005      0      0 .783 .0037
AlM  .0005      0      0 .217 .0037
FeT  .9527    .25  .9283 .351 .0027
AlT  .9527    .25  .9283 .649 .0027
O1   .2494  .9864  .2529      .0062
O2   .0216  .1433  .0686      .0088
O3   .6146    .25  .8633      .0070
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