{"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:\/\/www.rzepa.net\/blog\/?p=12500","title":{"rendered":"Trigonal bipyramidal or square pyramidal: Another ten minute exploration."},"content":{"rendered":"
\n

This is rather cranking the handle, but taking my previous post<\/a> and altering the search definition of the crystal structure database from 4- to 5-coordinate metals, one gets the following.<\/p>\n

\"Fe<\/a>

Fe …<\/p><\/div>\n

\"Co<\/a>

Co …<\/p><\/div>\n

\"Ni<\/a>

Ni …<\/p><\/div>\n

\"Cu<\/a>

Cu …<\/p><\/div>\n

Trigonal bipyramidal coordination has angles of 90, 120 and 180\u00b0. Square pyramidal has no 120\u00b0 angles, and the 180\u00b0 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\u00b0 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.<\/p>\n\n<\/div> ","protected":false},"excerpt":{"rendered":"

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\u00b0. Square pyramidal has no 120\u00b0 angles, and the 180\u00b0 angles might be somewhat reduced. Thus […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[3,1754,4],"tags":[1242,1009],"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"],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/p1gPyz-3fC","jetpack_likes_enabled":true,"_links":{"self":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/posts\/12500","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=12500"}],"version-history":[{"count":0,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/posts\/12500\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=12500"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=12500"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=12500"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}