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 = 6.27 GPa
_database_code_amcsd 0017775
5.303 14.3778 5.5290 90 90 90 I2mb
atom     x      y      z occ Biso
Ca    .492  .1085  .0256      .72
FeM      0      0      0 .87  .60
AlM      0      0      0 .13  .60
FeT   .952   .250  .9309 .58  .58
AlT   .952   .250  .9309 .42  .58
O1    .247  .9848   .258       .7
O2    .025  .1430   .072       .9
O3    .609   .250   .869       .8