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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


1 entry selected.
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=89192 Help
TitleMain- and superstructure by X-ray scattering for annealed single crystal of Y Ba2 Cu3 O6.5.
AuthorsGrybos, J.;Wabia, M.;Kubanek, F.;Guskos, N.
ReferencePhysica C (1999) 320, 51-64
Link XRef SCOPUS SCIRUS Google
CompoundBa2 Cu3 O6.5 Y1 - Yttrium barium copper oxide (1/2/3/6.5) [A2B4C6X13] [oP25] [x w t s2 r q2 l f e b a] []
Cell7.676(2), 3.879(1), 11.706(4), 90., 90., 90.
PMMM (47) V=348.55
RemarksR=0.083000 : MOD DEF
Compound annealed at 430 K for 14 h

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(1e)-2
O2(4w)-2
O3(2r)-2
O4(2t)-2
O5(2q)-2
O6(2s)-2
O7(1f)-2
0.2507(2)0.50.501
0.2474(1)0.50.1886(1)01
0000.012(2)1
0.50001
000.3563(3)0.0100(9)1
0.500.3553(3)0.0087(9)1
00.5000.82(6)
0.2500.3770(12)0.0071
00.50.3751(12)0.00441
0.50.50.3751(12)0.00441
000.1533(8)0.00151
0.500.1517(8)0.0041
0.50.5000.19(6)
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(1e)-2
O2(4w)-2
O3(2r)-2
O4(2t)-2
O5(2q)-2
O6(2s)-2
O7(1f)-2
0.011(1)0.017(2)0.018(2)000
0.013(1)0.013(1)0.015(1)000
000000
0.021(3)0.012(4)0.017(5)000
000000
000000
0.0070.0280.021000
000000
000000
000000
000000
000000
0.0070.0280.028000

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