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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 Help
TitleIUCr, commision on powder diffraction. Rietveld refinement round robin. II. Analysis of monoclinic ZrO2.
AuthorsHill, R.J.;Cranswick, L.M.D.
ReferenceIC&volume=27&fpage=802&details=yes target=icsd_help>Journal of Applied Crystallography (1994) 27, 802-844
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CompoundO2 Zr1 - [Baddeleyite] Zirconium oxide [AX2] [mP12] [e3] []
Cell5.14608(2), 5.21177(2), 5.31301(2), 90., 99.222(1), 90.
P121/C1 (14) V=140.65
RemarksR=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
0.270.040.200.101
0.070.330.340.591
0.440.750.480.641

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