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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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PowderCell
Old ICSD
Title
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by Neutron Powder Diffraction.
Authors
Capponi, J.J.;Chaillout, C.;Hewat, A.W.;Lejay, P.;Marezio, M.;Nguyen, N.;Raveau, B.;Soubeyroux, J.L.;Tholence, J.L.;Tournier, R.
Reference
IC&volume=3&fpage=130&details=yes target=icsd_help>Europhysics Letters (1987)
3
, 130-130
Link
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Compound
Ba2 Cu3 O7 Y1
- Barium yttrium copper oxide (2/1/3/7)
[
AB2C3X7
] [
oP13
] [
t s r q2 h e a
] [
]
Cell
3.8131(1), 3.8806(2), 11.6329(5), 90., 90., 90.
PMMM (47)
V=172.13
Remarks
R=0.080000 : T =75 : N
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
Y1
(1h)
3
Cu1
(1a)
2.331
Cu2
(2q)
2.331
O1
(2q)
-2
O2
(2s)
-2
O3
(2r)
-2
O4
(1e)
-2
0.5
0.5
0.18
0.20
1
0.5
0.5
0.5
0.58
1
0
0
0
0.09
1
0
0
0.35
0.47
1
0
0
0.15
0.70
1
0.5
0
0.37
0.0(
1
0
0.5
0.37
0.37
1
0
0.5
0
0
1
Atom (site) Oxid.
B11, B22, B33, B12, B13, B23
Ba1
(2t)
2
Y1
(1h)
3
Cu1
(1a)
2.331
Cu2
(2q)
2.331
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
1.4(
1.0(
2.1(
0
0
0
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