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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
Structures of superconducting Ba2 Y Cu3 O7-d and semiconducting Ba2 Y Cu3 O6 between 25 centigrade and 750 centigrade.
Authors
Hewat, A.W.;Capponi, J.J.;Chaillout, C.;Marezio, M.;Hewat, E.A.jr.
Reference
IC&volume=64&fpage=301&details=yes target=icsd_help>Solid State Communications (1987)
64
, 301-307
Link
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Compound
Ba2 Cu3 O6.71 Y1
- Barium yttrium copper oxide (2/1/3/6.7)
[
ABC2D2X7
] [
oP13
] [
t s r q2 h e a
] [
]
Cell
3.8274(2), 3.8904(2), 11.7177(6), 90., 90., 90.
PMMM (47)
V=174.48
Remarks
R=0.088000 : M =Cu : N T =298 : D
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(2t)
2
Y1
(1h)
3
Cu1
(1a)
3
Cu2
(2q)
1.71
O1
(2q)
-2
O2
(2s)
-2
O3
(2r)
-2
O4
(1e)
-2
0.5
0.5
0.18
0.67
1
0.5
0.5
0.5
0.94
1
0
0
0
1.20
1
0
0
0.35
0.78
1
0
0
0.15
1.44
1
0.5
0
0.37
1.02
1
0
0.5
0.37
0.87
0.97
0
0.5
0
0
0.77
Atom (site) Oxid.
B11, B22, B33, B12, B13, B23
Ba1
(2t)
2
Y1
(1h)
3
Cu1
(1a)
3
Cu2
(2q)
1.71
O1
(2q)
-2
O2
(2s)
-2
O3
(2r)
-2
O4
(1e)
-2
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
7.7(
0.8(
1.0(
0
0
0
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