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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=41653
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Title
Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds.
Authors
Armstrong, A.R.;David, W.I.F.;Gameson, I.;Edwards, P.P.;Capponi, J.J.;Bordet, P.;Marezio, M.
Reference
Physical Review, Serie 3. B - Condensed (1995)
52
, 155-155
Link
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Compound
Ba2 Ca2 Cu3 Hg1 O8.16
- Mercury barium calcium copper oxide (1/2/2/3/8.16)
[
AB2C2D3X8
] [
tP16
] [
i h2 g2 e c b a
] [
]
Cell
3.8089(3), 3.8089(3), 15.400(4), 90., 90., 90.
P4/MMM (123)
V=223.42
Remarks
D N P =3500 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
No R value given in the paper.
Cell at 6.0 GPa: 3.7822, 15.180, B-values as at ambient pressur
Atom (site) Oxid.
x, y, z, B, Occupancy
Hg1
(1a)
2
Ba1
(2h)
2
Ca1
(2h)
2
Cu1
(1b)
2.11
Cu2
(2g)
2.11
O1
(2e)
-2
O2
(4i)
-2
O3
(2g)
-2
O4
(1c)
-2
0
0
0
1.66
1
0.5
0.5
0.16
0.30
1
0.5
0.5
0.39
0.30
1
0
0
0.5
0.45
1
0
0
0.29
0.04
1
0
0.5
0.5
0.35
1
0.5
0
0.30
0.28
1
0
0
0.12
0.54
1
0.5
0.5
0
0.5(
0.16
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