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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Characterization of ternary compounds in the Ba O:Fe2 O3 :TiO2 system: Ba6 Fe45 Ti17 O106 and Ba Fe11 Ti3 O23.
Authors
Vanderah, T.A.;Wong-Ng, W.;Toby, B.H.;Browning, V.M.;Shull, R.D.;Geyer, R.G.;Roth, R.S.
Reference
IC&volume=143&fpage=182&details=yes target=icsd_help>Journal of Solid State Chemistry (1999)
143
, 182-197
Link
XRef
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Compound
Ba1 Fe11.04 O23 Ti2.96
- Barium iron titanium oxide (1/11.04/2.96/23)
[
AB14X23
] [
mS152
] [
f17 e3 b
] [
]
Cell
19.5610(10), 8.6614(7), 10.120(1), 90., 105.62(1), 90.
C12/C1 (15)
V=1651.27
Remarks
R=0.055000 : T =298 :
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(4e)
2
Fe1
(8f)
2.913
Ti1
(8f)
4
Fe2
(8f)
2.913
Ti2
(8f)
4
Fe3
(8f)
2.913
Ti3
(8f)
4
Fe4
(8f)
2.913
Ti4
(8f)
4
Fe5
(8f)
2.913
Ti5
(8f)
4
Fe6
(8f)
2.913
Ti6
(8f)
4
Fe7
(8f)
2.913
O1
(8f)
-2
O2
(8f)
-2
O3
(8f)
-2
O4
(8f)
-2
O5
(8f)
-2
O6
(8f)
-2
O7
(8f)
-2
O8
(8f)
-2
O9
(8f)
-2
O10
(4e)
-2
O11
(4e)
-2
O12
(4b)
-2
O13
(8f)
-2
0
0.32
0.25
0
1
0.06
0.00
0.44
0
0.65
0.06
0.00
0.44
0
0.35
-.06
0.63
0.03
0
0.72
-.06
0.63
0.03
0
0.28
-.06
0.81
0.30
0
0.63
-.06
0.81
0.30
0
0.37
0.31
0.00
0.22
0
0.91
0.31
0.00
0.22
0
0.09
0.17
0.15
0.24
0
0.77
0.17
0.15
0.24
0
0.23
0.18
0.31
0.51
0
0.84
0.18
0.31
0.51
0
0.16
0.28
0.34
0.07
0
1
0.23
0.32
0.37
0.00
1
0.12
0.15
0.39
0.00
1
0.24
0.15
0.12
0.00
1
-.13
0.67
0.34
0.00
1
-.12
0.49
0.09
0.00
1
-.11
0.82
0.10
0.00
1
0.25
0.02
0.35
0.00
1
0.12
0.33
0.15
0.00
1
0.00
0.16
0.50
0.00
1
0
0.66
0.25
0.00
1
0
-.01
0.25
0.00
1
0
0.5
0.5
0.00
1
0.11
0.00
0.64
0.00
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Ba1
(4e)
2
Fe1
(8f)
2.913
Ti1
(8f)
4
Fe2
(8f)
2.913
Ti2
(8f)
4
Fe3
(8f)
2.913
Ti3
(8f)
4
Fe4
(8f)
2.913
Ti4
(8f)
4
Fe5
(8f)
2.913
Ti5
(8f)
4
Fe6
(8f)
2.913
Ti6
(8f)
4
Fe7
(8f)
2.913
O1
(8f)
-2
O2
(8f)
-2
O3
(8f)
-2
O4
(8f)
-2
O5
(8f)
-2
O6
(8f)
-2
O7
(8f)
-2
O8
(8f)
-2
O9
(8f)
-2
O10
(4e)
-2
O11
(4e)
-2
O12
(4b)
-2
O13
(8f)
-2
0.00
0.01
0.00
0
0.00
0
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0.01
0.01
0.01
0.00
0.00
0.00
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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