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

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Abstract

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.

Original languageEnglish
Pages (from-to)979-986
Number of pages8
JournalActa Crystallographica Section B: Structural Science
Volume62
Issue number6
DOIs
Publication statusPublished - Dec 1 2006

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Neutron Diffraction
Dilatation and Curettage
Stainless Steel
Neutrons
Neutron diffraction
Austenitic stainless steel
Least-Squares Analysis
Transmission Electron Microscopy
Computer Simulation
Powders
Precipitates
Nitrogen
Crystal structure
Metals
Atoms
Diffraction patterns
Rietveld refinement
Lattice constants
Transmission electron microscopy
Computer simulation

All Science Journal Classification (ASJC) codes

  • Biochemistry, Genetics and Molecular Biology(all)

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On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure. / Lee, Tae Ho; Kim, Sung Joon; Shin, Eunjoo; Takaki, Setsuo.

In: Acta Crystallographica Section B: Structural Science, Vol. 62, No. 6, 01.12.2006, p. 979-986.

Research output: Contribution to journalArticle

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abstract = "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) {\AA}, 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.",
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