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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=73896 Help
TitleSingle crystal X-ray structure analysis of YBa2Cu3O6.5.
AuthorsSimon, A.;Truebenbach, K.;Borrmann, H.
ReferenceIC&volume=106&fpage=128&details=yes target=icsd_help>Journal of Solid State Chemistry (1993) 106, 128-133
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CompoundBa2 Cu3 O6.5 Y1 - Yttrium barium copper oxide (1/2/3/6.5) [A2B4C6X13] [oP25] [x w t s2 r q l e b a2] []
Cell7.655(5), 3.873(3), 11.735(9), 90., 90., 90.
PMMM (47) V=347.92
RemarksR=0.085000 : T
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
Y1(2l)3
Ba1(4x)2
Cu1(1a)2
Cu2(1b)2
Cu3(2q)2
Cu4(2s)2
O1(2q)-2
O2(2s)-2
O3(4w)-2
O4(2r)-2
O5(2t)-2
O6(1e)-2
0.250.50.501
0.240.50.1801
00001
0.50001
000.3501
0.500.3501
000.1601
0.500.1501
0.2400.3801
00.50.3801
0.50.50.3801
00.5001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Y1(2l)3
Ba1(4x)2
Cu1(1a)2
Cu2(1b)2
Cu3(2q)2
Cu4(2s)2
O1(2q)-2
O2(2s)-2
O3(4w)-2
O4(2r)-2
O5(2t)-2
O6(1e)-2
0.010.010.01000
0.000.000.0000.000
0.000.000.00000
0.010.010.02000
0.020.020.02000
0.020.020.02000
0.000.000.00000
0.000.020.03000
0.040.020.0100.000
0.020.010.02000
0.000.030.02000
0.010.010.00000

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