Crystal structure refinement of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 with 0.3 ≤ x ≤ 0.7 by Rietveld method

Hyun Min Park, Hwack Joo Lee, Yong Won Song, Yang Koo Cho, Sahn Nahm, Jae Dong Byun

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Crystal structures of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 (BLMN) with 0.3 ≤ x ≤ 0.7 were analyzed using the X-ray Rietveld refinement. The evolution of the X-ray powder pattern could be explained by the presence of 1:1 ordering of the B-site cation and the antiphase tilting of the oxygen octahedra, which were further confirmed by the observation of the antiphase boundary (APB) for the ordering and the ferroelastic domain boundaries for oxygen tilting by TEM. The crystal structure, which has only the 1:1 ordering of the B-site cation, has the space group of Fm3̄m (225), and that which has both the 1:1 ordered and the antiphase tilting of oxygen octahedra has the space group of I4/m (87). For the quantitative analysis of X-ray diffraction data, a new concept of the two-phase mixture of phase (Fm3̄m) and phase (I4/m) was employed in these systems. The obtained results were better than others, which employed only one single phase. The molar weight of the I4/m phase in a mixture increased as the La content in the BLMN system increased from 11.5% (x = 0.3) to 24.3% (x = 0.7).

Original languageEnglish
Pages (from-to)2163-2174
Number of pages12
JournalMaterials Research Bulletin
Volume36
Issue number12
DOIs
Publication statusPublished - 2001 Oct 1

Fingerprint

Rietveld method
Crystal structure
Oxygen
crystal structure
Cations
oxygen
Positive ions
cations
X rays
Rietveld refinement
x rays
antiphase boundaries
Powders
quantitative analysis
Transmission electron microscopy
X ray diffraction
transmission electron microscopy
Chemical analysis
diffraction

Keywords

  • A. inorganic compound
  • B. Rietveld
  • C. X-ray diffraction
  • D. crystal structure

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

Cite this

Crystal structure refinement of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 with 0.3 ≤ x ≤ 0.7 by Rietveld method. / Park, Hyun Min; Lee, Hwack Joo; Song, Yong Won; Cho, Yang Koo; Nahm, Sahn; Byun, Jae Dong.

In: Materials Research Bulletin, Vol. 36, No. 12, 01.10.2001, p. 2163-2174.

Research output: Contribution to journalArticle

Park, Hyun Min ; Lee, Hwack Joo ; Song, Yong Won ; Cho, Yang Koo ; Nahm, Sahn ; Byun, Jae Dong. / Crystal structure refinement of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 with 0.3 ≤ x ≤ 0.7 by Rietveld method. In: Materials Research Bulletin. 2001 ; Vol. 36, No. 12. pp. 2163-2174.
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abstract = "Crystal structures of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 (BLMN) with 0.3 ≤ x ≤ 0.7 were analyzed using the X-ray Rietveld refinement. The evolution of the X-ray powder pattern could be explained by the presence of 1:1 ordering of the B-site cation and the antiphase tilting of the oxygen octahedra, which were further confirmed by the observation of the antiphase boundary (APB) for the ordering and the ferroelastic domain boundaries for oxygen tilting by TEM. The crystal structure, which has only the 1:1 ordering of the B-site cation, has the space group of Fm3̄m (225), and that which has both the 1:1 ordered and the antiphase tilting of oxygen octahedra has the space group of I4/m (87). For the quantitative analysis of X-ray diffraction data, a new concept of the two-phase mixture of phase (Fm3̄m) and phase (I4/m) was employed in these systems. The obtained results were better than others, which employed only one single phase. The molar weight of the I4/m phase in a mixture increased as the La content in the BLMN system increased from 11.5{\%} (x = 0.3) to 24.3{\%} (x = 0.7).",
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N2 - Crystal structures of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 (BLMN) with 0.3 ≤ x ≤ 0.7 were analyzed using the X-ray Rietveld refinement. The evolution of the X-ray powder pattern could be explained by the presence of 1:1 ordering of the B-site cation and the antiphase tilting of the oxygen octahedra, which were further confirmed by the observation of the antiphase boundary (APB) for the ordering and the ferroelastic domain boundaries for oxygen tilting by TEM. The crystal structure, which has only the 1:1 ordering of the B-site cation, has the space group of Fm3̄m (225), and that which has both the 1:1 ordered and the antiphase tilting of oxygen octahedra has the space group of I4/m (87). For the quantitative analysis of X-ray diffraction data, a new concept of the two-phase mixture of phase (Fm3̄m) and phase (I4/m) was employed in these systems. The obtained results were better than others, which employed only one single phase. The molar weight of the I4/m phase in a mixture increased as the La content in the BLMN system increased from 11.5% (x = 0.3) to 24.3% (x = 0.7).

AB - Crystal structures of (Ba1-xLax)[Mg(1+x)/3Nb (2-x)/3]O3 (BLMN) with 0.3 ≤ x ≤ 0.7 were analyzed using the X-ray Rietveld refinement. The evolution of the X-ray powder pattern could be explained by the presence of 1:1 ordering of the B-site cation and the antiphase tilting of the oxygen octahedra, which were further confirmed by the observation of the antiphase boundary (APB) for the ordering and the ferroelastic domain boundaries for oxygen tilting by TEM. The crystal structure, which has only the 1:1 ordering of the B-site cation, has the space group of Fm3̄m (225), and that which has both the 1:1 ordered and the antiphase tilting of oxygen octahedra has the space group of I4/m (87). For the quantitative analysis of X-ray diffraction data, a new concept of the two-phase mixture of phase (Fm3̄m) and phase (I4/m) was employed in these systems. The obtained results were better than others, which employed only one single phase. The molar weight of the I4/m phase in a mixture increased as the La content in the BLMN system increased from 11.5% (x = 0.3) to 24.3% (x = 0.7).

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