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*data for ICSD #180178
Coll Code 180178
Rec Date 2011/08/01
Chem Name Lanthanum Ferrate
Structured La (Fe O3)
Sum Fe1 La1 O3
ANX ABX3
D(calc) 6.64
Title Microwave-assisted synthesis: a fast and efficient route to produce
La M O3 (M = Al, Cr, Mn, Fe, Co) perovskite materials
Author(s) Prado-Gonjal, J.;Arevalo-Lopez, A.M.;Moran, E.
Reference Materials Research Bulletin
(2011), 46, 222-230
Unit Cell 5.55623(4) 5.56304(4) 7.85346(6) 90. 90. 90.
Vol 242.74
Z 4
Space Group P b n m
SG Number 62
Cryst Sys orthorhombic
Pearson oP20
Wyckoff d c2 b
R Value 0.0353
Red Cell P 5.556 5.563 7.853 90 90 90 242.745
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Rietveld profile refinement applied
Structure type : GdFeO3
X-ray diffraction (powder)
At least one temperature factor missing in the paper.
Atom # OX SITE x y z SOF H
La 1 +3 4 c 0.0193(8) 0.0281(2) 0.250 1. 0
Fe 1 +3 4 b 0 0.5 0 1. 0
O 1 -2 4 c 0.091(3) 0.488(2) 0.250 1. 0
O 2 -2 8 d -0.289(4) 0.290(4) 0.029(2) 1. 0
Std. Notes Transformation Method: Tidy
REMARK Transformed from setting P b n m.--> P n m a
TRANS b,c,a origin 0 1/2 1/2
Std. Cell 5.5630 7.8535 5.5562 90 90 90
Std. Vol. 242.74
Std. Z 4
Std. SG PNMA
Std. Atom
Atom # OX SITE x y z SOF
La 1 +3 4 c .47190 .25 .01930 1.
Fe 1 +3 4 a 0 0 0 1.
O 1 -2 4 c .01200 .25 .09100 1.
O 2 -2 8 d .29000 .52900 .21100 1.
*end for ICSD #180178 |
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