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【答案】应助回帖
感谢参与，应助指数 +1
*data for ICSD #82107
Coll Code 82107
Rec Date 1999/11/30
Chem Name Praseodymium Oxide (12/22) - Beta
Structured Pr12 O22
Sum O22 Pr12
ANX A2B4X11
D(calc) 6.92
Title Structures in the oxygen-deficient fluorite-related Rn O2n-2
homologous series: Pr12 O22
Author(s) Zhang, J.;von Dreele, R.B.;Eyring, L.
Reference Journal of Solid State Chemistry
(1996), 122, 53-58
Unit Cell 6.6850(2) 11.6004(4) 12.8271(4) 90. 99.974(1) 90.
Vol 979.69
Z 2
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson mP68
Wyckoff e17
R Value .032
Red Cell P 6.685 11.600 12.827 90 99.974 90 979.691
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Neutron diffraction (powder)
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-089-0573
Rietveld profile refinement applied
Atom # OX SITE x y z SOF H ITF(U)
Pr 1 +4 4 e 0.8607(5) -.0136(3) 0.1181(3) 1. 0 0.0063(1)
Pr 2 +4 4 e 0.4095(4) 0.1682(4) 0.1275(2) 1. 0 0.0063(1)
Pr 3 +4 4 e 0.8719(5) 0.3469(3) 0.1235(3) 1. 0 0.0063(1)
Pr 4 +4 4 e 0.8636(5) 0.6670(4) 0.1088(2) 1. 0 0.0063(1)
Pr 5 +3 4 e 0.3736(6) 0.5045(3) 0.1321(3) 1. 0 0.0063(1)
Pr 6 +3 4 e 0.3564(5) 0.8332(4) 0.1275(3) 1. 0 0.0063(1)
O 1 -2 4 e 0.1744(5) 0.0158(3) 0.0762(2) 1. 0 0.01056(9)
O 2 -2 4 e 0.7492(4) 0.1613(3) 0.0775(2) 1. 0 0.01056(9)
O 3 -2 4 e 0.1735(4) 0.3180(3) 0.0876(2) 1. 0 0.01056(9)
O 4 -2 4 e 0.6920(5) 0.5140(2) 0.0540(2) 1. 0 0.01056(9)
O 5 -2 4 e 0.1769(4) 0.6648(3) 0.0579(2) 1. 0 0.01056(9)
O 6 -2 4 e 0.6635(4) 0.8247(3) 0.0473(2) 1. 0 0.01056(9)
O 7 -2 4 e 0.5696(5) 0.0005(2) 0.1762(3) 1. 0 0.01056(9)
O 8 -2 4 e 0.5821(4) 0.3389(3) 0.1814(2) 1. 0 0.01056(9)
O 9 -2 4 e 0.0366(5) 0.5228(3) 0.2059(2) 1. 0 0.01056(9)
O 10 -2 4 e 0.5912(4) 0.6719(3) 0.2040(2) 1. 0 0.01056(9)
O 11 -2 4 e 0.0244(4) 0.8199(3) 0.1925(2) 1. 0 0.01056(9)
*end for ICSD #82107 |
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