On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure

Tae Ho Lee, Sung Joon Kim, Eunjoo Shin, Setsuo Takaki

    研究成果: Contribution to journalArticle査読

    24 被引用数 (Scopus)

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    The ordered structure of Cr2N precipitates in high-nitrogen austenitic steel was investigated utilizing high-resolution neutron powder diffractometry (HRPD). On the basis of the Rietveld refinement of neutron diffraction patterns, the ordered Cr2N superstructure was confirmed to be trigonal (space group P3̄1m), with lattice parameters a = 4.800 (4) and c = 4.472 (5) Å, as suggested in previous transmission electron microscopy studies [Lee, Oh, Han, Lee, Kim & Takaki (2005). Acta Cryst. B61, 137-144; Lee, Kim & Takaki (2006). Acta Cryst. B62, 190-196]. The occupancies of the N atoms in four crystallographic sites [1(a), 1(b), 2(d) and 2(c) Wyckoff sites] were determined to be 1.00(5), 0.0, 0.74(9) and 0.12(3), respectively, reflecting a partial disordering of N atoms along the c axis. The position of the metal atom was specified to be x = 0.346 (8) and z = 0.244 (6), corresponding to a deviation from the ideal position (x = 0.333 and z = 0.250). This deviation caused the (1/3 1/3 0)-type superlattice reflection to appear. A comparison between the ideal and measured crystal structures of Cr2N was performed using a computer simulation of selected-area diffraction patterns.

    本文言語英語
    ページ(範囲)979-986
    ページ数8
    ジャーナルActa Crystallographica Section B: Structural Science
    62
    6
    DOI
    出版ステータス出版済み - 12 1 2006

    All Science Journal Classification (ASJC) codes

    • 生化学、遺伝学、分子生物学(全般)

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