Brownmillerite
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F
Physics and Chemistry of Minerals 35 (2008) 493-504
The effect of oxygen vacancies and aluminium substitution on the
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
Locality: synthetic
Note: x = 0.55
Note: P = 3.21 GPa
_database_code_amcsd 0017773
5.3394 14.4853 5.5584 90 90 90 I2mb
atom     x      y      z occ Biso
Ca    .489 .10824  .0264      .62
FeM      0      0      0 .87  .52
AlM      0      0      0 .13  .52
FeT   .952   .250  .9302 .58  .49
AlT   .952   .250  .9302 .42  .49
O1    .243  .9853   .259      .66
O2    .028  .1420  .0708      .80
O3   .6178   .250   .871       .6