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 = 0.0
Note: P = 8.167 GPa
_database_code_amcsd 0017764
5.3246 14.4819 5.5110 90 90 90 Pnma
atom x y z Biso
Ca .4802 .1088 .0217 .60
FeM 0 0 0 .28
FeT .9455 .250 .9353 .42
O1 .2617 .9836 .2380 .36
O2 .0266 .1414 .0761 .72
O3 .5916 .250 .8756 .61
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