{"created":"2021-03-01T07:30:13.850126+00:00","id":49977,"links":{},"metadata":{"_buckets":{"deposit":"442e6c74-7a6f-4b0b-a44b-2f88cc0ef0d8"},"_deposit":{"id":"49977","owners":[],"pid":{"revision_id":0,"type":"depid","value":"49977"},"status":"published"},"_oai":{"id":"oai:tsukuba.repo.nii.ac.jp:00049977","sets":["117:4784","3:62:5296:7413"]},"author_link":["124022","209150"],"control_number":"49977","item_1644910766877":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_5_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-12","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"6","bibliographicPageEnd":"659","bibliographicPageStart":"651","bibliographicVolumeNumber":"74","bibliographic_titles":[{"bibliographic_title":"Acta crystallographica. Section B, Structural science, Crystal engineering and materials","bibliographic_titleLang":"en"}]}]},"item_5_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The structure factors of diamond were determined by synchrotron radiation X-ray powder diffraction at 800 K at sin θ/λ ≤ 2.2 Å−1 reciprocal resolution. The structure factors were estimated using six powder profiles measured on beamline BL02B2 at SPring-8 (Hyogo, Japan). A high reciprocal resolution at sin θ/λ ≤ 2.2 Å−1 was required to reveal the temperature dependence of the charge density, due to the high Debye temperature of θD = 1860 K of diamond. Wide 2θ angle data with the highest counting statistics are crucial for accurate data analysis. The periodic noise of every six-pixel step was observed in the highest counting statistics imaging plate (IP) data scanned by a BAS2500 IP scanner. It was found that the noise originated from the six-sided polygonal mirror in the scanner. The intensity fluctuation at every six-pixel step was also found in the Fourier series expansion of the powder profiles. The ratio of the maximum fluctuation was estimated as 0.4% by summing all six-pixel step data. The powder profiles were corrected by multiplying the ratios. The intensity fluctuation in the background region was reduced to less than 50% of the uncorrected data. The weak 888 Bragg reflection, with an intensity of 0.005% of that of the 111 Bragg reflection at 800 K, was readily observed in the corrected data. Finally, the structure factors determined at 800 K were successfully applied to a charge-density study by multipole modelling. The reliability factors and multipole parameters at 800 K are in agreement with those at 300 K. The differences in the charge density at the bond midpoint and ∇2ρ at the bond-critical point were less than 1% and 2%, respectively.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_5_publisher_27":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"International Union of Crystallography","subitem_publisher_language":"en"}]},"item_5_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isIdenticalTo","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1107/S205252061801497X","subitem_relation_type_select":"DOI"}}]},"item_5_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© 2018 International Union of Crystallography","subitem_rights_language":"en"}]},"item_5_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"2052-5192","subitem_source_identifier_type":"PISSN"}]},"item_5_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA1209764X","subitem_source_identifier_type":"NCID"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"西堀, 英治","creatorNameLang":"ja"},{"creatorName":"ニシボリ, エイジ","creatorNameLang":"ja-Kana"},{"creatorName":"NISHIBORI, Eiji","creatorNameLang":"en"}],"nameIdentifiers":[{},{},{}]},{"creatorNames":[{"creatorName":"Deguchi, Yuka","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-05-14"}],"displaytype":"detail","filename":"ActaCB_74-6_electronic reprint.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"ActaCB_74-6","objectType":"fulltext","url":"https://tsukuba.repo.nii.ac.jp/record/49977/files/ActaCB_74-6_electronic reprint.pdf"},"version_id":"bc08945a-4d56-4d04-8a2d-bafd27bdb555"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Structure factors and charge-density study of diamond at 800 K","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Structure factors and charge-density study of diamond at 800 K","subitem_title_language":"en"}]},"item_type_id":"5","owner":"1","path":["7413","4784"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2019-05-14"},"publish_date":"2019-05-14","publish_status":"0","recid":"49977","relation_version_is_last":true,"title":["Structure factors and charge-density study of diamond at 800 K"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-02-01T02:52:29.336614+00:00"}