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ICSD for WWW : Details

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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=50261 Help
TitleEffect of doping on the structure of Hg Ba2 Cu O(4+delta) single crystals.
AuthorsSchwer, H.;Kopnin, E.M.;Molinski, R.;Jun, J.;Meijer, G.I.;Conder, K.;Rossel, C.;Karpinski, J.
ReferencePhysica C (1997) 276, 281-288
Link XRef SCOPUS SCIRUS Google
CompoundBa2 Cu1 Hg0.938 O4.292 Pb0.108 - Mercury lead barium copper oxide (0.94/0.11/2/1/4.29) [AB9C9D19X40] [tP8] [n l h g e b a] []
Cell3.8836(2), 3.8836(2), 9.5532(11), 90., 90., 90.
P4/MMM (123) V=144.08
RemarksR=0.034000 : DEF
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.

Atom (site) Oxid. x, y, z, B, Occupancy
Hg1(1a)2
Pb1(4l)2
Ba1(2h)2
Cu1(1b)2.492
O1(2g)-2
O2(2e)-2
O3(4n)-2
00000.938(4)
0.144(5)000.010(4)0.027(4)
0.50.50.29733(7)01
000.501
000.2084(9)01
0.500.501
0.382(6)0.500.0150.073(6)
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Hg1(1a)2
Pb1(4l)2
Ba1(2h)2
Cu1(1b)2.492
O1(2g)-2
O2(2e)-2
O3(4n)-2
0.0180(2)0.0180(2)0.0109(3)000
000000
0.0074(1)0.0074(1)0.0132(3)000
0.0039(3)0.0039(3)0.0127(8)000
0.0199(18)0.0199(18)0.0112(34)000
0.043(19)0.065(29)0.0114(29)000
000000

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