Structural analysis of orthorhombic hafnia by neutron powder diffraction

Journal Article · Sat Dec 31 23:00:00 EST 1994 · Journal of the American Ceramic Society

DOI:https://doi.org/10.1111/j.1151-2916.1995.tb08391.x· OSTI ID:182669

Ohtaka, Osamu; Yamanaka, Takamitsu; Kume, Shoichi ^[1]; Hara, Naoki; Asano, Hajime ^[2]; Izumi, Fujio ^[3]

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1. Osaka Univ., Toyonaka (Japan). Dept. of Earth and Space Science
2. Univ. of Tsukuba, Ibaraki (Japan). Inst. of Materials Science
3. National Inst. for Research in Inorganic Materials, Tsukuba, Ibaraki (Japan)

The crystal structure of orthorhombic HfO{sub 2} synthesized at 600 C and 6 GPa was investigated by a time-of-flight neutron powder diffraction experiment. Rietveld analysis of these data revealed that the space group of this phase is Pbca. The refined lattice parameters re a{sub 0} = 1.00177, b{sub 0} = 0.52276, and c{sub 0} = 0.50599 nm. The structure is derived from a distorted fluorite (CaF{sub 2}) structure by a b-glide parallel to the a-axis. The hafnium atom is in seven-fold coordination. The structure of orthorhombic HfO{sub 2} is found to be the same as that of an orthorhombic ZrO{sub 2}, which occurs under high pressure above 3 GPa.

• Sponsoring Organization: USDOE
• OSTI ID: 182669
• Journal Information: Journal of the American Ceramic Society, Journal Name: Journal of the American Ceramic Society Journal Issue: 1 Vol. 78; ISSN 0002-7820; ISSN JACTAW
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL STRUCTURE
HAFNIUM OXIDES
LATTICE PARAMETERS
MONOCLINIC LATTICES
NEUTRON DIFFRACTION
ORTHORHOMBIC LATTICES
POWDERS
VERY HIGH PRESSURE
ZIRCONIUM OXIDES