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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=93533 Help
TitleStructural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction.
AuthorsSubbarao, M.V.;Kundaliya, D.C.;Kulkarni, R.G.;Malik, S.K.;Yelon, W.B.
ReferenceIC&volume=14&fpage=397&details=yes target=icsd_help>Journal of Superconductivity (2001) 14, 397-403
Link XRef SCOPUS Google
CompoundBa1.286 Ca0.429 Cu2.764 Fe0.236 La1.071 O7.24 Y0.214 - Lanthanum yttrium calcium barium copper iron(III) oxide (1.07/0.21/0.439/1.296/2.76/0.24/7.24) [AB2C3X7] [tP13] [n i h g2 d a] []
Cell3.8707(2), 3.8707(2), 11.6225(7), 90, 90, 90
P4/MMM (123) V=174.13
RemarksR=0.029000 : N D
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
La1(1d)3
Y1(1d)3
Ca1(1d)2
Ba1(2h)2
La2(2h)3
Cu1(1a)2.347
Cu2(2g)2.347
Fe1(2g)3
O1(4n)-2
O2(4i)-2
O3(2g)-2
0.50.50.50.010.35
0.50.50.50.010.21
0.50.50.50.010.42
0.50.50.180.030.64
0.50.50.180.030.35
0.0.0.0.031
0.0.0.350.020.88
0.0.0.350.020.11
0.080.50.0.040.31
0.50.0.360.021
0.0.0.150.041

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