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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=57158
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Title
IUCr, commision on powder diffraction. Rietveld refinement round robin. II. Analysis of monoclinic ZrO2.
Authors
Hill, R.J.;Cranswick, L.M.D.
Reference
IC&volume=27&fpage=802&details=yes target=icsd_help>Journal of Applied Crystallography (1994)
27
, 802-844
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Compound
O2 Zr1
-
[Baddeleyite]
Zirconium oxide
[
AX2
] [
mP12
] [
e3
] [
]
Cell
5.14608(2), 5.21177(2), 5.31301(2), 90., 99.222(1), 90.
P121/C1 (14)
V=140.65
Remarks
R=0.040000 : P =37-1484 : S M =Baddeleyite :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Type: Hf O2, average of 27 parallel refimenets
Atom (site) Oxid.
x, y, z, B, Occupancy
Zr1
(4e)
4
O1
(4e)
-2
O2
(4e)
-2
0.27
0.04
0.20
0.10
1
0.07
0.33
0.34
0.59
1
0.44
0.75
0.48
0.64
1
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