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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=41041 Help
TitleNeutron diffraction and EM structure determination of the oxide Pb Ba0.8 Sr1.2 Pr Ce Cu3 O9, a perfectly ordered intergrowth of rock salt, oxygen-deficient perovskite, and fluorite-type structures.
AuthorsRouillon, T.;Caignaert, V.;Michel, C.;Hervieu, M.;Groult, D.;Raveau, B.
ReferenceIC&volume=97&fpage=19&details=yes target=icsd_help>Journal of Solid State Chemistry (1992) 97, 19-28
Link XRef SCOPUS Google
CompoundBa0.77 Ce1 Cu3 O9 Pb0.93 Pr1 Sr1.23 - Lead barium strontium praseodymium cerium copper oxide (0.93/0.8/1.2/1/1/3/9) [ABCD2X9] [tP17] [f c3 b5 a5] []
Cell3.8721(1), 3.8721(1), 16.40169(40), 90., 90., 90.
P4MM (99) V=245.91
RemarksR=0.055500 : D N P =82-431 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Nearly no difference between tetrag. and orh. refinement
PDF 82-431, is orthorhombic, cp. 74439, R(Bragg)=0.0591

Atom (site) Oxid. x, y, z, B, Occupancy
Pb1(1a)2
Sr1(1b)2
Ba1(1b)2
Cu1(1a)2.03
Pr1(1b)3
Ce1(1b)3
Pr2(1a)3
Ce2(1a)3
Cu2(1b)2.03
Sr2(1a)2
Ba2(1a)2
Cu3(1b)2.03
O1(4f)-2
O2(1a)-2
O3(2c)-2
O4(2c)-2
O5(2c)-2
O6(1b)-2
0001.400.93
0.50.50.151.360.76
0.50.50.151.360.24
000.270.541
0.50.50.380.060.5
0.50.50.380.060.5
000.540.060.5
000.540.060.5
0.50.50.650.441
000.750.520.47
000.750.520.53
0.50.50.891.861
0.630.50.000.970.25
000.122.441
0.500.271.181
0.500.451.411
0.500.620.731
0.50.50.781.781

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