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ICSD for WWW : Details

ICSD for WWW

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=66905 Help
TitleSingle crystal structure determination of Y Ba2 Cu3-x Fex O7-y.
AuthorsFun, H.-K.;Yip, B.-C.;Wang, A.;Chou, C.-H.;Lee, T.-J.
ReferenceChinese Journal of Physics (1993) 31, 1145-1150
Link XRef SCOPUS SCIRUS Google
CompoundBa2 Cu2.8 Fe0.2 O6.98 Y1 - Yttrium barium copper iron oxide (1/2/2.8/0.2/6.98) [AB2C3X7] [tP13] [i h g2 f d a] []
Cell3.859(2), 3.859(2), 11.721(11), 90., 90., 90.
P4/MMM (123) V=174.55
RemarksR=0.050000 : DEF
At least one temperature factor missing in the paper.
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(1d)3
Ba1(2h)2
Cu1(1a)2.32
Cu2(2g)2.32
Fe1(2g)2.32
O1(2f)-2
O2(2g)-2
O3(4i)-2
0.50.50.501
0.50.50.1858(1)01
00001
000.3562(1)00.90(4)
000.3562(1)00.10(4)
00.5000.49(3)
000.1585(5)01
00.50.3778(4)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Y1(1d)3
Ba1(2h)2
Cu1(1a)2.32
Cu2(2g)2.32
Fe1(2g)2.32
O1(2f)-2
O2(2g)-2
O3(4i)-2
0.0080(3)0.0080(3)0.0065(3)000
0.0109(2)0.0109(2)0.0093(2)000
0.0092(3)0.0092(3)0.0034(3)000
0.0083(3)0.0083(3)0.0091(3)000
0.0083(3)0.0083(3)0.0091(3)000
000000
0.0018(2)0.0018(2)0.0008(2)000
0.0010(2)0.0007(1)0.0011(1)000

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