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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=83062
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Title
Neutron-scattering determination of the structural parameters versus oxygen content of Y Ba2 Cu3 O6+x single crystals.
Authors
Casalta, H.;Schleger, P.;Harris, P.;Lebech, B.;Andersen, N.H.;Liang, R.-X.;Dosanjh, P.;Hardy, W.N.
Reference
Physica C (1996)
258
, 321-330
Link
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Compound
Ba2 Cu3 O6.78 Y1
- Yttrium barium copper oxide (1/2/3/6.78)
[
AB2C3X7
] [
oP13
] [
t s r q2 h e a
] [
]
Cell
3.8265, 3.8875, 11.7011, 90., 90., 90.
PMMM (47)
V=174.06
Remarks
R=0.033000 : N T D
Atom (site) Oxid.
x, y, z, B, Occupancy
Y1
(1h)
3
Ba1
(2t)
2
Cu1
(1a)
2.187
Cu2
(2q)
2.187
O1
(1e)
-2
O2
(2s)
-2
O3
(2r)
-2
O4
(2q)
-2
0.5
0.5
0.5
0
1
0.5
0.5
0.18
0
1
0
0
0
0
1
0
0
0.35
0
1
0
0.5
0
0
0.78
0.5
0
0.37
0
1
0
0.5
0.37
0
1
0
0
0.15
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Y1
(1h)
3
Ba1
(2t)
2
Cu1
(1a)
2.187
Cu2
(2q)
2.187
O1
(1e)
-2
O2
(2s)
-2
O3
(2r)
-2
O4
(2q)
-2
0.00
0.00
0.00
0
0
0
0.00
0.00
0.00
0
0
0
0.00
0.00
0.00
0
0
0
0.00
0.00
0.00
0
0
0
0.02
0.00
0.01
0
0
0
0.00
0.00
0.01
0
0
0
0.00
0.00
0.01
0
0
0
0.01
0.01
0.00
0
0
0
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