X-ray structural study of calcium manganese oxide by rietveld analysis at high temperatures [Ca2MnO4.00]

Junichi Takahashi; Naoki Kamegashira

doi:10.1016/0025-5408(93)90053-G

X-ray structural study of calcium manganese oxide by rietveld analysis at high temperatures [Ca₂MnO_4.00]

Junichi Takahashi, Naoki Kamegashira

Research output: Contribution to journal › Article › peer-review

28 Citations (Scopus)

Abstract

The structure of the polycrystalline Ca₂MnO_4.00 has been investigated by high-temperature X-ray diffractometry and Rietveld analysis. The polycrystalline Ca₂MnO_4.00 has the K₂NiF₄-type tetragonal ( I4₁ acd) super structure (a={check mark}2a′, c=2c′) of tetragonal ( I4 mmm) primitive structure in the temperature range 298-977K in air. The composition remains unchanged during further conditions. This I4₁ acd super structure contains the rotated MnO₆ octahedra about their c axes, and magnitude of the rotation decreases with increasing temperature. The temperature dependence of the a parameter is governed by the rotation of the MnO₆ polyhedra, and that of the c parameter is dominated by the tetragonal distortion of the CaO arrangements in the structure.

Original language	English
Pages (from-to)	565-573
Number of pages	9
Journal	Materials Research Bulletin
Volume	28
Issue number	6
DOIs	https://doi.org/10.1016/0025-5408(93)90053-G
Publication status	Published - 1993 Jun
Externally published	Yes

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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10.1016/0025-5408(93)90053-G

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title = "X-ray structural study of calcium manganese oxide by rietveld analysis at high temperatures [Ca2MnO4.00]",

abstract = "The structure of the polycrystalline Ca2MnO4.00 has been investigated by high-temperature X-ray diffractometry and Rietveld analysis. The polycrystalline Ca2MnO4.00 has the K2NiF4-type tetragonal ( I41 acd) super structure (a={check mark}2a′, c=2c′) of tetragonal ( I4 mmm) primitive structure in the temperature range 298-977K in air. The composition remains unchanged during further conditions. This I41 acd super structure contains the rotated MnO6 octahedra about their c axes, and magnitude of the rotation decreases with increasing temperature. The temperature dependence of the a parameter is governed by the rotation of the MnO6 polyhedra, and that of the c parameter is dominated by the tetragonal distortion of the CaO arrangements in the structure.",

author = "Junichi Takahashi and Naoki Kamegashira",

year = "1993",

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doi = "10.1016/0025-5408(93)90053-G",

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pages = "565--573",

journal = "Materials Research Bulletin",

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number = "6",

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T1 - X-ray structural study of calcium manganese oxide by rietveld analysis at high temperatures [Ca2MnO4.00]

AU - Takahashi, Junichi

AU - Kamegashira, Naoki

PY - 1993/6

Y1 - 1993/6

N2 - The structure of the polycrystalline Ca2MnO4.00 has been investigated by high-temperature X-ray diffractometry and Rietveld analysis. The polycrystalline Ca2MnO4.00 has the K2NiF4-type tetragonal ( I41 acd) super structure (a={check mark}2a′, c=2c′) of tetragonal ( I4 mmm) primitive structure in the temperature range 298-977K in air. The composition remains unchanged during further conditions. This I41 acd super structure contains the rotated MnO6 octahedra about their c axes, and magnitude of the rotation decreases with increasing temperature. The temperature dependence of the a parameter is governed by the rotation of the MnO6 polyhedra, and that of the c parameter is dominated by the tetragonal distortion of the CaO arrangements in the structure.

AB - The structure of the polycrystalline Ca2MnO4.00 has been investigated by high-temperature X-ray diffractometry and Rietveld analysis. The polycrystalline Ca2MnO4.00 has the K2NiF4-type tetragonal ( I41 acd) super structure (a={check mark}2a′, c=2c′) of tetragonal ( I4 mmm) primitive structure in the temperature range 298-977K in air. The composition remains unchanged during further conditions. This I41 acd super structure contains the rotated MnO6 octahedra about their c axes, and magnitude of the rotation decreases with increasing temperature. The temperature dependence of the a parameter is governed by the rotation of the MnO6 polyhedra, and that of the c parameter is dominated by the tetragonal distortion of the CaO arrangements in the structure.

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