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 = 4.511 GPa
_database_code_amcsd 0017774
5.324 14.4380 5.5450 90 90 90 I2mb
atom     x      y      z occ Biso
Ca    .488 .10849  .0260      .54
FeM      0      0      0 .87  .46
AlM      0      0      0 .13  .46
FeT   .952   .250 .93078 .58  .49
AlT   .952   .250 .93078 .42  .49
O1    .237  .9842   .260      .54
O2    .025  .1429  .0718      .78
O3    .611   .250   .868       .2