Structure of Lu4Si2O7N2 analyzed by the Rietveld method using the time-of-flight neutron powder diffraction pattern

Junichi Takahashi, Hisanori Yamane, Masahiko Shimada, Yoshinobu Yamamoto, Naoto Hirosaki, Mamoru Mitomo, Kenichi Oikawa, Shuki Torii, Takashi Kamiyama

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)

Abstract

The crystal structure of a lutetium silicon oxynitride (Lu4Si2O7N2) was analyzed by the Rietveld method using time-of-flight (TOF) neutron powder diffraction data. The compound crystallizes in a monoclinic cell, space group P21/c (No. 14-1) with a = 7.4243(1), b = 10.2728(1), c = 10.6628(1) Å, and β = 109.773(1)° at 297 K. One nitrogen atom in Lu4Si2O7N2 occupies the bridging site between the two Si atoms, and the other one is statistically situated at the terminal sites of Si2O5N2 ditetrahedra. In the local structure, Si2O5N2 ditetrahedra consist of SiO3N and SiO2N2 tetrahedral units sharing the N atom. Lu atoms are in sixfold, sevenfold (×2) and eightfold coordinations of O/N atoms. X-ray powder diffraction data were also analyzed with the model obtained by the neutron diffraction.

Original languageEnglish
Pages (from-to)2072-2077
Number of pages6
JournalJournal of the American Ceramic Society
Volume85
Issue number8
DOIs
Publication statusPublished - 2002 Aug

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

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