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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=83086
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Title
The nuclear density of YBCO by the maximum entropy method using neutron powder data.
Authors
Takata, M.;Nishibori, E.;Takayama, T.;Sakata, M.;Kodama, K.;Sato, M.;Howard, C.J.
Reference
Physica C (1996)
263
, 176-179
Link
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Compound
Ba2 Cu3 O6.97 Y1
- Yttrium barium copper oxide (1/2/3/6.97)
[
AB2C3X7
] [
oP13
] [
t s r q2 h e a
] [
]
Cell
3.81550(8), 3.88203(9), 11.6458(3), 90., 90., 90.
PMMM (47)
V=172.5
Remarks
R=0.032000 : N T =15 : D
At least one temperature factor missing in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Y1
(1h)
3
Ba1
(2t)
2
Cu1
(1a)
2.313
Cu2
(2q)
2.313
O1
(2q)
-2
O2
(2s)
-2
O3
(2r)
-2
O4
(1e)
-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
0.15
0
1
0.5
0
0.37
0
1
0
0.5
0.37
0
1
0
0.5
0
0
0.97
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