Structure of yttrium cobaltate from neutron diffraction

Journal Article · Thu May 01 04:00:00 EDT 1997 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1006/jssc.1997.7279· OSTI ID:577468

Mehta, A ^[1]; Berliner, R ^[2]; Smith, R W ^[3]

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1. Stanford Linear Accelerator Center, CA (United States)
2. Univ. of Missouri, Columbia, MO (United States)
3. Univ. of Nebraska, Omaha, NE (United States)

The crystal structure of YCoO{sub 3} has been determined from Rietveld analysis of the powder neutron diffraction data at 17, 100, and 300 K. At each temperature, the structure is a distorted perovskite with orthorhombic symmetry, space group Pbnm (Z = 4). The lattice parameters, at 300 K, are 5.1388 (5) x 5.4191(5) x 7.3658(7) {angstrom}. Structural analysis indicates that the formal valence of cobalt in YCoO{sub 3} is +3. Analysis of the Co-O distances and the absence of magnetic structure indicates that the majority of the Co{sup 3+} ions in YCoO{sub 3} are in the low-spin (i.e. t{sub 2g}{sup 6}e{sub g}{sup 0}) state. The data also show that perhaps 10% of the CO{sup 3+} ions at 300 K (but insignificant fractions at 100 and 17 K) are in the high-spin state.

• DOE Contract Number: FG02-90ER45427
• OSTI ID: 577468
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 130; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
66 PHYSICS
COBALT OXIDES
CRYSTAL STRUCTURE
LATTICE PARAMETERS
NEUTRON DIFFRACTION
PEROVSKITE
VALENCE
YTTRIUM OXIDES