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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=98832 Help
TitleStructural variations in the brownmillerite series Ca2 (Fe2-x Alx) O5: single-crystal X-ray diffraction at 25C and high-temperature X-ray powder diffraction (25C < T < 1000C).
AuthorsRedhammer, G.J.; Tippelt, G.; Roth, G.; Amthauer, G.
ReferenceIC&volume=89&fpage=405&details=yes target=icsd_help>American Mineralogist (2004) 89, 405-420
Link XRef SCOPUS Google
CompoundAl0.663 Ca2 Fe1.337 O5 - [Brownmillerite] Calcium iron(III) aluminium oxide (2/1.34/0.66/5) [ABC2X5] [oI36] [c3 b2 a] []
Cell5.3714(3), 14.5805(7), 5.5847(3), 90, 90, 90
I2MB (46) V=437.38
RemarksR=0.019000 : T =298 : M =Brownmillerite :

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(8c)2
Fe1(4a)3
Al1(4a)3
Fe2(4b)3
Al2(4b)3
O1(8c)-2
O2(8c)-2
O3(4b)-2
0.490.100.020.001
0.000.0.0.000.85
0.000.0.0.000.14
0.950.250.920.000.48
0.950.250.920.000.51
0.250.980.250.001
0.020.140.060.001
0.610.250.850.001

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