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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=87308
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Title
Precision neutron-diffraction study of the high-Tc superconductor Hg Ba2 Cu O4+d.
Authors
Aksenov, V.L.;Balagurov, A.M.;Sikolenko, V.V.;Simkin, V.G.;Alyoshin, V.A.;Antipov, E.V.;Gippius, A.A.;Mikhailova, D.A.;Putilin, S.N.;Bouree, F.
Reference
Physical Review, Serie 3. B - Condensed (1997)
55
, 396-397
Link
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Compound
Ba2 Cu1 Hg0.94 O4.07
- Mercury barium copper oxide (0.94/2/1/4.07)
[
ABC2X4
] [
tP8
] [
h g e c b a
] [
]
Cell
3.8783(2), 3.8783(2), 9.5073(4), 90., 90., 90.
P4/MMM (123)
V=143.
Remarks
R=0.068000 : N T 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
Hg1
(1a)
2
Ba1
(2h)
2
Cu1
(1b)
2.26
O1
(2e)
-2
O2
(2g)
-2
O3
(1c)
-2
0
0
0
0.22
0.94
0.5
0.5
0.30
0.1(
1
0
0
0.5
0.1(
1
0.5
0
0.5
0.38
1
0
0
0.20
0.67
1
0.5
0.5
0
0.5(
0.07
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