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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
Structural anomalies in La Ba2 Cu3 Ox cuprates with iron substitution.
Authors
Wu, X.S.;Xiang, X.H.;Chen, W.M.;Li, Y.;Liu, W.J.;Jiang, S.S.
Reference
Physica C (1998)
301
, 29-38
Link
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Compound
Ba2 Cu1.875 Fe1.125 La1 O7.42
- Lanthanum barium copper iron oxide (1/2/1.88/1.12/7.42)
[
ABC2D2X7
] [
oP13
] [
t s r q2 h e c b a
] [
]
Cell
3.9314(4), 3.9407(3), 11.822(1), 90., 90., 90.
PMMM (47)
V=183.15
Remarks
R=0.073000 : X D
At least one temperature factor missing in the paper.
Oxygen content interpolated from fig. 3
Atom (site) Oxid.
x, y, z, B, Occupancy
La1
(1h)
3
Ba1
(2t)
2
Cu1
(1a)
2.381
Fe1
(1a)
3
Cu2
(2q)
2.381
Fe2
(2q)
3
O1
(1b)
-2
O2
(1e)
-2
O3
(2q)
-2
O4
(2s)
-2
O5
(2r)
-2
O6
(1c)
-2
0.5
0.5
0.5
0
1
0.5
0.5
0.16
0
1
0
0
0
0
0.32
0
0
0
0
0.68
0
0
0.33
0
0.77
0
0
0.33
0
0.22
0.5
0
0
0
0.26
0
0.5
0
0
0.26
0
0
0.16
0
1
0.5
0
0.33
0
1
0
0.5
0.35
0
1
0
0
0.5
0
0.9(
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