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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=63428
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Title
Structure-Property Relationships for RBa2Cu3Ox Phases.
Authors
Torardi, C.C.;McCarron, E.M.III.;Subramanian, M.A.;Horowitz, H.S.;Michel, J.B.;Sleight, A.W.;Cox, D.E.
Reference
IC&volume=351&fpage=152&details=yes target=icsd_help>American Chemical Society: Symposium Ser (1987)
351
, 152-163
Link
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Compound
Ba2 Cu3 Nd1 O6.85
- Neodymium barium copper oxide (1/2/3/6.9)
[
AB2C3X7
] [
oP13
] [
t s r q2 h e b a
] [
]
Cell
3.8687(2), 9.9150(2), 11.7477(8), 90., 90., 90.
PMMM (47)
V=450.62
Remarks
R=0.037000 : N D
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(2t)
2
Nd1
(1h)
3
Cu1
(1a)
2.23
Cu2
(2q)
2.23
O1
(2q)
-2
O2
(2r)
-2
O3
(2s)
-2
O4
(1e)
-2
O5
(1b)
-2
0.5
0.5
0.18
0.9(
1
0.5
0.5
0.5
0.1(
1
0
0
0
1.1(
1
0
0
0.35
0.3(
1
0
0
0.15
1.1(
1
0
0.5
0.37
0.8(
1
0.5
0
0.37
0.5(
1
0
0.5
0
1.9(
0.71
0.5
0
0
1.50
0.14
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