{"id":12500,"date":"2014-05-02T09:05:22","date_gmt":"2014-05-02T08:05:22","guid":{"rendered":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=12500"},"modified":"2014-05-02T09:05:22","modified_gmt":"2014-05-02T08:05:22","slug":"trigonal-bipyramidal-or-square-pyramidal-another-ten-minute-exploration","status":"publish","type":"post","link":"https:\/\/rzepa.net\/blog\/2014\/05\/02\/trigonal-bipyramidal-or-square-pyramidal-another-ten-minute-exploration\/","title":{"rendered":"Trigonal bipyramidal or square pyramidal: Another ten minute exploration."},"content":{"rendered":"<p>\n\tThis is rather cranking the handle, but taking my <a href=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=12482\" target=\"_blank\" title=\"Tetrahedral or square planar? A ten minute exploration.\" rel=\"noopener\">previous post<\/a> and altering the search definition of the crystal structure database from 4- to 5-coordinate metals, one gets the following.\n<\/p>\n<figure id=\"attachment_12502\" aria-describedby=\"caption-attachment-12502\" style=\"width: 440px\" class=\"wp-caption aligncenter\"><img decoding=\"async\" class=\"size-full wp-image-12502 wp-caption aligncenter\" src=\"http:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/05\/Fe5.jpeg\" alt=\"Fe ...\" width=\"440\" \/><figcaption id=\"caption-attachment-12502\" class=\"wp-caption-text\">Fe &#8230;<\/figcaption><\/figure>\n<figure id=\"attachment_12503\" aria-describedby=\"caption-attachment-12503\" style=\"width: 440px\" class=\"wp-caption aligncenter\"><img decoding=\"async\" class=\"size-full wp-image-12503 wp-caption aligncenter\" src=\"http:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/05\/Co5.jpeg\" alt=\"Co ...\" width=\"440\" \/><figcaption id=\"caption-attachment-12503\" class=\"wp-caption-text\">Co &#8230;<\/figcaption><\/figure>\n<figure id=\"attachment_12504\" aria-describedby=\"caption-attachment-12504\" style=\"width: 440px\" class=\"wp-caption aligncenter\"><img decoding=\"async\" class=\"size-full wp-image-12504 wp-caption aligncenter\" src=\"http:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/05\/Ni5.jpeg\" alt=\"Ni ...\" width=\"440\" \/><figcaption id=\"caption-attachment-12504\" class=\"wp-caption-text\">Ni &#8230;<\/figcaption><\/figure>\n<figure id=\"attachment_12505\" aria-describedby=\"caption-attachment-12505\" style=\"width: 440px\" class=\"wp-caption aligncenter\"><img decoding=\"async\" class=\"size-full wp-image-12505 wp-caption aligncenter\" src=\"http:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/05\/Cu5.jpeg\" alt=\"Cu ...\" width=\"440\" \/><figcaption id=\"caption-attachment-12505\" class=\"wp-caption-text\">Cu &#8230;<\/figcaption><\/figure>\n<p>\n\tTrigonal bipyramidal coordination has angles of 90, 120 and 180&deg;. Square pyramidal has no 120&deg; angles, and the 180&deg; angles might be somewhat reduced. Thus the Fe and Co series have plenty of 120, whereas the Ni and Cu series hardly any. The Ni series has many 160&deg; values. It is clearly a serious issue that attempting any correlation with the spin states is going to be a lot of really hard work (I might next do another simple search where bond lengths can be shown to very closely correlate with low\/medium\/high spin states). I will not be trying a more finely grained analysis of the above plots; I just wanted to point out how very simple and quick they are to generate.\n<\/p>\n<hr \/>\n<h4>Acknowledgments<\/h4>\n<p>This post has been cross-posted in PDF format at <a href=\"https:\/\/doi.org\/10.15200\/winn.143118.81176\" rel=\"noopener\" target=\"_blank\">Authorea<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>This is rather cranking the handle, but taking my previous post and altering the search definition of the crystal structure database from 4- to 5-coordinate metals, one gets the following. Trigonal bipyramidal coordination has angles of 90, 120 and 180&deg;. Square pyramidal has no 120&deg; angles, and the 180&deg; angles might be somewhat reduced. Thus [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[4,6,8],"tags":[994,2185],"class_list":["post-12500","post","type-post","status-publish","format-standard","hentry","category-chemical-it","category-crystal_structure_mining","category-general","tag-fe-and-co","tag-search-definition"],"_links":{"self":[{"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/posts\/12500","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/comments?post=12500"}],"version-history":[{"count":0,"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/posts\/12500\/revisions"}],"wp:attachment":[{"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/media?parent=12500"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/categories?post=12500"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/rzepa.net\/blog\/wp-json\/wp\/v2\/tags?post=12500"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}