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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
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Title
Structural 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).
Authors
Redhammer, G.J.; Tippelt, G.; Roth, G.; Amthauer, G.
Reference
IC&volume=89&fpage=405&details=yes target=icsd_help>American Mineralogist (2004)
89
, 405-420
Link
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Compound
Al0.663 Ca2 Fe1.337 O5
-
[Brownmillerite]
Calcium iron(III) aluminium oxide (2/1.34/0.66/5)
[
ABC2X5
] [
oI36
] [
c3 b2 a
] [
]
Cell
5.3714(3), 14.5805(7), 5.5847(3), 90, 90, 90
I2MB (46)
V=437.38
Remarks
R=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
0.49
0.10
0.02
0.00
1
0.00
0.
0.
0.00
0.85
0.00
0.
0.
0.00
0.14
0.95
0.25
0.92
0.00
0.48
0.95
0.25
0.92
0.00
0.51
0.25
0.98
0.25
0.00
1
0.02
0.14
0.06
0.00
1
0.61
0.25
0.85
0.00
1
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