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 = 0.0001 GPa
_database_code_amcsd 0017771
5.383 14.610 5.5920 90 90 90 I2mb
atom     x      y      z occ Biso
Ca    .491 .10833  .0266      .71
FeM      0      0      0 .87  .54
AlM      0      0      0 .13  .54
FeT   .955   .250  .9295 .58  .57
AlT   .955   .250  .9295 .42  .57
O1    .246  .9861   .256      .58
O2    .024  .1424  .0699      .67
O3    .612   .250   .863       .7