Brownmillerite
Colville A A, Geller S
Acta Crystallographica B27 (1971) 2311-2315
The crystal structure of brownmillerite, Ca2FeAlO5
Locality: synthetic
Note: no bond lengths could be reproduced
_database_code_amcsd 0009418
5.584 14.60 5.374 90 90 90 Ibm2
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .0273 .1087 .4920      .0045  .0008  .0079  .0001 -.0002 -.0000
Fe1      0     0 .0000 .76  .0015  .0011  .0029      0      0  .0000
Fe2  .9283   .25 .9533 .24  .0018  .0004  .0025      0 -.0007      0
Al1      0     0 .0000 .24  .0015  .0011  .0029      0      0  .0000
Al2  .9283   .25 .9533 .76  .0018  .0004  .0025      0 -.0007      0
O1   .2523 .9861 .2491      .0027  .0011  .0069 -.0005 -.0002 -.0005
O2   .0680 .1439 .0246      .0055  .0012  .0082  .0006 -.0016  .0008
O3   .8607   .25 .6193      .0036  .0008  .0074      0 -.0007      0