On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure
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 g...
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| Veröffentlicht in: | Acta crystallographica. Section B, Structural science Structural science, 2006-12, Vol.62 (6), p.979-986 |
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| creator | Kim, Sung-Joon Shin, Eunjoo Takaki, Setsuo Lee, Tae-Ho |
| description | 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 ), 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 ‐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. |
| doi_str_mv | 10.1107/S0108768106034173 |
| format | Article |
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III. Neutron diffraction study on the ordered Cr2N superstructure</title><source>Wiley Online Library Journals Frontfile Complete</source><source>Free Full-Text Journals in Chemistry</source><creator>Kim, Sung-Joon ; Shin, Eunjoo ; Takaki, Setsuo ; Lee, Tae-Ho</creator><creatorcontrib>Kim, Sung-Joon ; Shin, Eunjoo ; Takaki, Setsuo ; Lee, Tae-Ho</creatorcontrib><description>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 ), 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 ‐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.</description><identifier>ISSN: 0108-7681</identifier><identifier>ISSN: 2052-5192</identifier><identifier>EISSN: 1600-5740</identifier><identifier>EISSN: 2052-5206</identifier><identifier>DOI: 10.1107/S0108768106034173</identifier><identifier>PMID: 17108650</identifier><identifier>CODEN: ASBSDK</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: Blackwell Publishing Ltd</publisher><subject>Chemical compounds ; Comparative studies ; Condensed matter: structure, mechanical and thermal properties ; Cr2N ; Crystal lattices ; Crystal structure ; Crystallography ; Diffraction ; Equations of state, phase equilibria, and phase transitions ; Exact sciences and technology ; General studies of phase transitions ; Inorganic compounds ; neutron diffraction ; Neutrons ; Nitrogen ; Order-disorder and statistical mechanics of model systems ; ordered structures ; partial disorder ; Physics ; Stainless steel ; Structure of solids and liquids; crystallography ; Structure of specific crystalline solids</subject><ispartof>Acta crystallographica. Section B, Structural science, 2006-12, Vol.62 (6), p.979-986</ispartof><rights>2007 INIST-CNRS</rights><rights>International Union of Crystallography, 2006</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1107%2FS0108768106034173$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1107%2FS0108768106034173$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,780,784,1417,27924,27925,45574,45575</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=18312115$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/17108650$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Kim, Sung-Joon</creatorcontrib><creatorcontrib>Shin, Eunjoo</creatorcontrib><creatorcontrib>Takaki, Setsuo</creatorcontrib><creatorcontrib>Lee, Tae-Ho</creatorcontrib><title>On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure</title><title>Acta crystallographica. Section B, Structural science</title><addtitle>Acta Cryst. B</addtitle><description>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 ), 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 ‐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.</description><subject>Chemical compounds</subject><subject>Comparative studies</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Cr2N</subject><subject>Crystal lattices</subject><subject>Crystal structure</subject><subject>Crystallography</subject><subject>Diffraction</subject><subject>Equations of state, phase equilibria, and phase transitions</subject><subject>Exact sciences and technology</subject><subject>General studies of phase transitions</subject><subject>Inorganic compounds</subject><subject>neutron diffraction</subject><subject>Neutrons</subject><subject>Nitrogen</subject><subject>Order-disorder and statistical mechanics of model systems</subject><subject>ordered structures</subject><subject>partial disorder</subject><subject>Physics</subject><subject>Stainless steel</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><issn>0108-7681</issn><issn>2052-5192</issn><issn>1600-5740</issn><issn>2052-5206</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><recordid>eNplkVGL1DAQx4Mo3nr6AXyRIOhb10nTtN3Hs3h3C2UPURGfQppMb3N2216S4u138cOava53oBDIDP_fzH-YIeQ1gyVjUHz4AgzKIi8Z5MAzVvAnZMFygEQUGTwli4OcHPQT8sL7GwDIWAnPyQkropILWJDfVz0NW6Ta7X1QHfXBTTpMDunQ0sqlGzo61Ha0QQX01PZ0a6-3SW-DG66xp2ryAWNmdSxVtu_Q-xghdku6Xq-XdINTRHtqbNs6pYONsQ-T2dNhdh6cQYdmNvPTiO5hhpfkWas6j6-O_yn5dv7pa3WZ1FcX6-qsTmzGVpCYPC3aZpVDy3hh7l-rWpXiqi0xZmWDwjRC5RpMumqajHHelpwZzTJheMpPyfu57-iG2wl9kDvrNXad6nGYvIwbFGnGIYJv_wFvhsn1cTaZAmcHrojQmyM0NTs0cnR2p9xe_l16BN4dAeW16uJaem39IxdHSxkTkStn7pftcP-ogzxcX_53fXn242NdCbi3SOZSG29x91Cq3E-ZF7wQ8vvmQpZ1ldafN0Je8j8T_7Il</recordid><startdate>200612</startdate><enddate>200612</enddate><creator>Kim, Sung-Joon</creator><creator>Shin, Eunjoo</creator><creator>Takaki, Setsuo</creator><creator>Lee, Tae-Ho</creator><general>Blackwell Publishing Ltd</general><general>Blackwell</general><scope>BSCLL</scope><scope>IQODW</scope><scope>NPM</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>7X8</scope></search><sort><creationdate>200612</creationdate><title>On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure</title><author>Kim, Sung-Joon ; Shin, Eunjoo ; Takaki, Setsuo ; Lee, Tae-Ho</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-i4190-d627fb960f137d37d37fafa2e9f8e7d38be5db5a6c0d29bb4133f831dc145d323</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><topic>Chemical compounds</topic><topic>Comparative studies</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Cr2N</topic><topic>Crystal lattices</topic><topic>Crystal structure</topic><topic>Crystallography</topic><topic>Diffraction</topic><topic>Equations of state, phase equilibria, and phase transitions</topic><topic>Exact sciences and technology</topic><topic>General studies of phase transitions</topic><topic>Inorganic compounds</topic><topic>neutron diffraction</topic><topic>Neutrons</topic><topic>Nitrogen</topic><topic>Order-disorder and statistical mechanics of model systems</topic><topic>ordered structures</topic><topic>partial disorder</topic><topic>Physics</topic><topic>Stainless steel</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kim, Sung-Joon</creatorcontrib><creatorcontrib>Shin, Eunjoo</creatorcontrib><creatorcontrib>Takaki, Setsuo</creatorcontrib><creatorcontrib>Lee, Tae-Ho</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>MEDLINE - Academic</collection><jtitle>Acta crystallographica. Section B, Structural science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kim, Sung-Joon</au><au>Shin, Eunjoo</au><au>Takaki, Setsuo</au><au>Lee, Tae-Ho</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure</atitle><jtitle>Acta crystallographica. Section B, Structural science</jtitle><addtitle>Acta Cryst. B</addtitle><date>2006-12</date><risdate>2006</risdate><volume>62</volume><issue>6</issue><spage>979</spage><epage>986</epage><pages>979-986</pages><issn>0108-7681</issn><issn>2052-5192</issn><eissn>1600-5740</eissn><eissn>2052-5206</eissn><coden>ASBSDK</coden><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 ), 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 ‐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.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>Blackwell Publishing Ltd</pub><pmid>17108650</pmid><doi>10.1107/S0108768106034173</doi><tpages>8</tpages></addata></record> |
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| subjects | Chemical compounds Comparative studies Condensed matter: structure, mechanical and thermal properties Cr2N Crystal lattices Crystal structure Crystallography Diffraction Equations of state, phase equilibria, and phase transitions Exact sciences and technology General studies of phase transitions Inorganic compounds neutron diffraction Neutrons Nitrogen Order-disorder and statistical mechanics of model systems ordered structures partial disorder Physics Stainless steel Structure of solids and liquids crystallography Structure of specific crystalline solids |
| title | On the crystal structure of Cr2N precipitates in high-nitrogen austenitic stainless steel. III. Neutron diffraction study on the ordered Cr2N superstructure |
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