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ICSD for WWW : Details

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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=70022 Help
TitleThe Cuprate Bi6Ba4Cu2O15: A Double Collapsed 2201-Type Structure.
AuthorsHervieu, M.;Michel, C.;Caldes, M.T.;Pham, A.Q.;Raveau, B.
ReferenceJournal of Solid State Chemistry (1993) 107, 117-126
Link XRef SCOPUS SCIRUS Google
CompoundBa11 Bi9 Cu4 O29 - Bismuth Barium Copper Oxide [A5B8C11X29] [mS106] [j2 i21 d c b] []
Cell12.191(1), 5.555(1), 27.0010(30), 90., 93.31(1), 90.
A12/M1 (12) V=1825.48
Remarks
At least one temperature factor missing in the paper.
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.
No R value given in the paper.
Heavy atom positions of model structure refined to HTRM image. Ideal positions for the O atoms. Additional Bi assumed to replace 11% of Ba.

Atom (site) Oxid. x, y, z, B, Occupancy
Bi1(4i)3
Bi2(4i)3
Bi3(4i)3
Bi4(4i)3
Bi5(4i)3
Cu1(4i)2.25
Cu2(2b)2.25
Cu3(4i)2.25
Ba1(2d)2
Ba2(4i)2
Ba3(4i)2
Ba4(4i)2
Ba5(4i)2
Ba6(4i)2
O1(4i)-2
O2(4i)-2
O3(4i)-2
O4(4i)-2
O5(4i)-2
O6(2c)-2
O7(4i)-2
O8(4i)-2
O9(4i)-2
O10(4i)-2
O11(4i)-2
O12(8j)-2
O13(8j)-2
0.34500.87701
0.10700.33901
0.92700.80101
0.75400.25901
0.43900.5700.5
0.43900.5700.5
00.5001
0.7970.50.46601
0.50001
0.26400.47301
0.03300.94101
0.86100.40401
0.37900.1401
0.43500.301
0.3450.50.87701
0.1070.50.33901
0.9270.50.80101
0.7540.50.25901
0.4390.50.5701
0.50.5001
0.2640.50.47301
0.0330.50.94101
0.8610.50.40401
0.3790.50.1401
0.4350.50.301
0.680.250.44801
0.8990.250.48301

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