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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Neutron diffraction and EM structure determination of the oxide Pb Ba0.8 Sr1.2 Pr Ce Cu3 O9, a perfectly ordered intergrowth of rock salt, oxygen-deficient perovskite, and fluorite-type structures.
Authors
Rouillon, T.;Caignaert, V.;Michel, C.;Hervieu, M.;Groult, D.;Raveau, B.
Reference
IC&volume=97&fpage=19&details=yes target=icsd_help>Journal of Solid State Chemistry (1992)
97
, 19-28
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Compound
Ba0.77 Ce1 Cu3 O9 Pb0.93 Pr1 Sr1.23
- Lead barium strontium praseodymium cerium copper oxide (0.93/0.8/1.2/1/1/3/9)
[
ABCD2X9
] [
tP17
] [
f c3 b5 a5
] [
]
Cell
3.8721(1), 3.8721(1), 16.40169(40), 90., 90., 90.
P4MM (99)
V=245.91
Remarks
R=0.055500 : D N P =82-431 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Nearly no difference between tetrag. and orh. refinement
PDF 82-431, is orthorhombic, cp. 74439, R(Bragg)=0.0591
Atom (site) Oxid.
x, y, z, B, Occupancy
Pb1
(1a)
2
Sr1
(1b)
2
Ba1
(1b)
2
Cu1
(1a)
2.03
Pr1
(1b)
3
Ce1
(1b)
3
Pr2
(1a)
3
Ce2
(1a)
3
Cu2
(1b)
2.03
Sr2
(1a)
2
Ba2
(1a)
2
Cu3
(1b)
2.03
O1
(4f)
-2
O2
(1a)
-2
O3
(2c)
-2
O4
(2c)
-2
O5
(2c)
-2
O6
(1b)
-2
0
0
0
1.40
0.93
0.5
0.5
0.15
1.36
0.76
0.5
0.5
0.15
1.36
0.24
0
0
0.27
0.54
1
0.5
0.5
0.38
0.06
0.5
0.5
0.5
0.38
0.06
0.5
0
0
0.54
0.06
0.5
0
0
0.54
0.06
0.5
0.5
0.5
0.65
0.44
1
0
0
0.75
0.52
0.47
0
0
0.75
0.52
0.53
0.5
0.5
0.89
1.86
1
0.63
0.5
0.00
0.97
0.25
0
0
0.12
2.44
1
0.5
0
0.27
1.18
1
0.5
0
0.45
1.41
1
0.5
0
0.62
0.73
1
0.5
0.5
0.78
1.78
1
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