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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=72129 Help
TitleSynthesis and structure of Sr1.5Ba0.5CuO2(CO3): an oxycarbonate containing infinite CuO2 layers.
AuthorsArmstrong, A.R.;Edwards, P.P.
ReferenceIC&volume=98&fpage=432&details=yes target=icsd_help>Journal of Solid State Chemistry (1992) 98, 432-436
Link XRef SCOPUS Google
CompoundC1 Ba0.5 Cu1 O5 Sr1.5 - Strontium barium copper oxide carbonate (1.5/0.5/1/2/1) [ABC2X5] [tP9] [s2 h g f b a] []
Cell3.92814(5), 3.92814(5), 7.6045(2), 90., 90., 90.
P4/MMM (123) V=117.34
RemarksR=0.025000 : D N
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
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
Sr1(2h)2
Ba1(2h)2
Cu1(1a)2
C1(1b)4
O1(2f)-2
O2(8s)-2
O3(8s)-2
O4(2g)-2
0.50.50.2200.75
0.50.50.2200.25
00001
000.501
0.50001
0.3100.5300.12
0.1800.3700.17
000.3300.32
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Sr1(2h)2
Ba1(2h)2
Cu1(1a)2
C1(1b)4
O1(2f)-2
O2(8s)-2
O3(8s)-2
O4(2g)-2
0.640.641.42000
0.640.640.42000
0.100.101.43000
0.900.900.92000
0.230.391.52000
0.015.6(1.8(0-1.80
2.8(1.2(6.2(03.7(0
4.8(4.8(0.10000

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