{"id":2723,"date":"2023-09-19T21:27:12","date_gmt":"2023-09-19T13:27:12","guid":{"rendered":"http:\/\/ustb.cc\/zh\/?p=2723"},"modified":"2023-09-20T10:27:12","modified_gmt":"2023-09-20T02:27:12","slug":"bfip-an-online-tool-to-calculate-the-best-fitted-idealized-polyhedron","status":"publish","type":"post","link":"http:\/\/ustb.cc\/zh\/bfip-an-online-tool-to-calculate-the-best-fitted-idealized-polyhedron\/","title":{"rendered":"BFIP: an online tool to calculate the best fitted idealized polyhedron"},"content":{"rendered":"\n<p class=\"has-small-font-size\"><em><a href=\"https:\/\/journals.iucr.org\/j\">J. Appl. Cryst.<\/a><\/em>&nbsp;(2023).&nbsp;<a href=\"https:\/\/journals.iucr.org\/j\/contents\/backissues.html\"><strong>56<\/strong><\/a>,&nbsp;884-888, <a href=\"https:\/\/doi.org\/10.1107\/S160057672300328X\">https:\/\/doi.org\/10.1107\/S160057672300328X<\/a><\/p>\n\n\n\n<p>Polyhedron ligands have been frequently used to characterize the ligand environment in inorganic materials. With a cation or anion as the central atom, its bonded counterparts are set as the vertices of the polyhedron. Generally, a series of geometrical parameters of the polyhedron, such as the average bond length and volumetric size, are extracted to illustrate the subtle change of local structure on compositional substitution. Polyhedral distortion analysis is widely adopted in research fields relying on a strong structure\u2013property relationship. For example, in rare-earth or transition-metal element doped luminescent materials, the energy levels of the excited\u00a0<em>d<\/em>\u00a0electrons are highly dependent on the polyhedral distortion of the ligand. As a result, the spectral excitation\/emission peaks of the luminescence center can be modulated by composition substitution, which usually induces polyhedral distortion due to the mismatch between ionic radii (Wang\u00a0<em>et al.<\/em>, 2016; Chen\u00a0<em>et al.<\/em>, 2017; Zhao\u00a0<em>et al.<\/em>, 2022). Therefore, characterization of polyhedral distortion constitutes an important part in the\u00a0<a href=\"https:\/\/dictionary.iucr.org\/Crystal_structure\">crystal structure<\/a>\u00a0analysis of inorganic materials.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>J. Appl. Cryst.&nbsp;(2023).&nbsp;56,&nbsp;884-888, htt [&hellip;]<\/p>\n","protected":false},"author":20,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[174],"tags":[],"class_list":["post-2723","post","type-post","status-publish","format-standard","hentry","category-lab_papers_2023"],"_links":{"self":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/2723","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/users\/20"}],"replies":[{"embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/comments?post=2723"}],"version-history":[{"count":3,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/2723\/revisions"}],"predecessor-version":[{"id":2751,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/2723\/revisions\/2751"}],"wp:attachment":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/media?parent=2723"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/categories?post=2723"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/tags?post=2723"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}