A New Hexagonal 12-Layer Perovskite-Related Structure: Ba6R2Ti4O17 (R = Nd and Y)

X. Kuang, X. Jing, C. K. Loong, Eric E Lachowski, Janet Mabel Scott Skakle, A. R. West

Research output: Contribution to journalArticle

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Abstract

The crystal structure of Ba6R2Ti4O17 (R = Nd and Y) was determined by combined analysis of X-ray and neutron powder diffraction data. Both materials crystallize in hexagonal symmetry with space group P6(3)/mmc, Z = 2. The unit cell parameters at room temperature are a = 5.99283(9) Angstrom and c = 29.9289(8) Angstrom for Nd and a = 5.93055(4) Angstrom and c = 29.5239(3) Angstrom for Y. The structure can be described as stacking of cubic (c) and hexagonal (h) [BaO3] layers as well as ordered, oxygen-deficient, pseudo-cubic (c') [BaO2] layers in the sequence of (c'cchcc)(2) along the c-axis and belongs to the 12-layer hexagonal perovskite-related family. The structural framework exhibits face-sharing TiO6 octahedral layers (Ti2O9), RO6 octahedral layers, and TiO4 tetrahedral layers. The TiO4 subunits form around the c' layers.

Original languageEnglish
Pages (from-to)4359-4363
Number of pages4
JournalChemistry of Materials
Volume14
DOIs
Publication statusPublished - 2002

Keywords

  • CRYSTAL-STRUCTURE
  • OXIDE
  • SYSTEM

Cite this

A New Hexagonal 12-Layer Perovskite-Related Structure: Ba6R2Ti4O17 (R = Nd and Y). / Kuang, X.; Jing, X.; Loong, C. K.; Lachowski, Eric E; Skakle, Janet Mabel Scott; West, A. R.

In: Chemistry of Materials, Vol. 14, 2002, p. 4359-4363.

Research output: Contribution to journalArticle

Kuang, X. ; Jing, X. ; Loong, C. K. ; Lachowski, Eric E ; Skakle, Janet Mabel Scott ; West, A. R. / A New Hexagonal 12-Layer Perovskite-Related Structure: Ba6R2Ti4O17 (R = Nd and Y). In: Chemistry of Materials. 2002 ; Vol. 14. pp. 4359-4363.
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T1 - A New Hexagonal 12-Layer Perovskite-Related Structure: Ba6R2Ti4O17 (R = Nd and Y)

AU - Kuang, X.

AU - Jing, X.

AU - Loong, C. K.

AU - Lachowski, Eric E

AU - Skakle, Janet Mabel Scott

AU - West, A. R.

PY - 2002

Y1 - 2002

N2 - The crystal structure of Ba6R2Ti4O17 (R = Nd and Y) was determined by combined analysis of X-ray and neutron powder diffraction data. Both materials crystallize in hexagonal symmetry with space group P6(3)/mmc, Z = 2. The unit cell parameters at room temperature are a = 5.99283(9) Angstrom and c = 29.9289(8) Angstrom for Nd and a = 5.93055(4) Angstrom and c = 29.5239(3) Angstrom for Y. The structure can be described as stacking of cubic (c) and hexagonal (h) [BaO3] layers as well as ordered, oxygen-deficient, pseudo-cubic (c') [BaO2] layers in the sequence of (c'cchcc)(2) along the c-axis and belongs to the 12-layer hexagonal perovskite-related family. The structural framework exhibits face-sharing TiO6 octahedral layers (Ti2O9), RO6 octahedral layers, and TiO4 tetrahedral layers. The TiO4 subunits form around the c' layers.

AB - The crystal structure of Ba6R2Ti4O17 (R = Nd and Y) was determined by combined analysis of X-ray and neutron powder diffraction data. Both materials crystallize in hexagonal symmetry with space group P6(3)/mmc, Z = 2. The unit cell parameters at room temperature are a = 5.99283(9) Angstrom and c = 29.9289(8) Angstrom for Nd and a = 5.93055(4) Angstrom and c = 29.5239(3) Angstrom for Y. The structure can be described as stacking of cubic (c) and hexagonal (h) [BaO3] layers as well as ordered, oxygen-deficient, pseudo-cubic (c') [BaO2] layers in the sequence of (c'cchcc)(2) along the c-axis and belongs to the 12-layer hexagonal perovskite-related family. The structural framework exhibits face-sharing TiO6 octahedral layers (Ti2O9), RO6 octahedral layers, and TiO4 tetrahedral layers. The TiO4 subunits form around the c' layers.

KW - CRYSTAL-STRUCTURE

KW - OXIDE

KW - SYSTEM

U2 - 10.1021/cm020374m

DO - 10.1021/cm020374m

M3 - Article

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SP - 4359

EP - 4363

JO - Chemistry of Materials

JF - Chemistry of Materials

SN - 0897-4756

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