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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=200779 Help
TitleThe electronic structure of copper in the polymer potassium bis(carbonato)cuprate(II) as determined from precise X-Ray diffraction data.
AuthorsFiggis, B.N.;Reynolds, P.A.;White, A.H.;Geoffrey, A.W.
ReferenceIC&volume=1981&fpage=371&details=yes target=icsd_help>Journal of the Chemical Society. Dalton (1981) 1981, 371-376
Link XRef SCOPUS Google
CompoundC2 Cu1 K2 O6 - Potassium bis(carbonato)cuprate(II) [AB2C2X6] [oF88] [b5 a] []
Cell11.425(3), 17.658(4), 6.154(2), 90., 90., 90.
FDD2 (43) V=1241.52
RemarksR=0.030000 :

Atom (site) Oxid. x, y, z, B, Occupancy
Cu1(8a)2
K1(16b)1
C1(16b)4
O1(16b)-2
O2(16b)-2
O3(16b)-2
00001
0.570.200.1901
0.080.120.2001
0.080.090.0101
0.100.190.2101
0.050.080.3701
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cu1(8a)2
K1(16b)1
C1(16b)4
O1(16b)-2
O2(16b)-2
O3(16b)-2
0.010.000.010.0000
0.020.010.020.000.000.00
0.010.010.020.00-.00-.00
0.020.010.02-.000.00-.00
0.010.010.04-.00-.00-.00
0.020.020.020.000.000.00

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