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*data for ICSD #50729
Coll Code 50729
Rec Date 2000/07/15
Mod Date 2006/04/01
Chem Name Tungsten Oxide - Beta
Structured W O3
Sum O3 W1
ANX AX3
Min Name Krasnogorite high
D(calc) 7.15
Title The high-temperature phases of W O3
Author(s) Vogt, T.;Woodward, P.M.;Hunter, B.A.
Reference Journal of Solid State Chemistry
(1999), 144, 209-215
Golden Book of Phase Transitions, Wroclaw
(2002), 1, 1-123
Unit Cell 7.3397(2) 7.5744(2) 7.7452(3) 90. 90. 90.
Vol 430.59
Z 8
Space Group P c n b
SG Number 60
Cryst Sys orthorhombic
Pearson oP32
Wyckoff d4
R Value 0.066
Red Cell P 7.339 7.574 7.745 90 90 90 430.585
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Stable from 603 to 1013 K (2nd ref., Tomaszewski), 290-603
K: P21/n
Compound with mineral name: Krasnogorite high
Neutron diffraction (powder)
The structure has been assigned a PDF number: 71-131
Rietveld profile refinement applied
Temperature in Kelvin: 673
At least one temperature factor is implausible or
meaningless but agrees with the value given in the paper.
Atom # OX SITE x y z SOF H
W 1 +6 8 d 0.2520(5) 0.0291(5) 0.2830(4) 1. 0
O 1 -2 8 d -.0016(8) 0.0322(4) 0.2205(5) 1. 0
O 2 -2 8 d 0.2833(4) 0.2582(5) 0.2591(6) 1. 0
O 3 -2 8 d 0.2803(4) 0.0130(7) 0.0016(5) 1. 0
Lbl Type B11 B22 B33 B12 B13 B23
W1 W6+ 0.73(6) 0.73(6) 0.73(6) 0.73(6) 0.73(6) 0.73(6)
O1 O2- 0.47(9) 1.3(1) 2.7(2) 0.2(2) -.8(2) 0.2(1)
O2 O2- 1.6(1) 0.6(1) 3.4(2) 0.1(2) -.2(1) 0.7(2)
O3 O2- 1.4(1) 2.6(2) 1.5(2) -.1(2) -.1(2) 0.1(1)
*end for ICSD #50729，
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