DOI: 10.17188/1202722
title: Materials Data on KI3F16 by Materials Project

description: KI3F16 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.69–3.07 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.15 Å. There are six inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of I–F bond distances ranging from 1.88–2.51 Å. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of I–F bond distances ranging from 1.88–2.55 Å. In the third I5+ site, I5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of I–F bond distances ranging from 1.87–2.55 Å. In the fourth I5+ site, I5+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of I–F bond distances ranging from 1.87–2.57 Å. In the fifth I5+ site, I5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of I–F bond distances ranging from 1.88–2.52 Å. In the sixth I5+ site, I5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of I–F bond distances ranging from 1.88–2.50 Å. There are thirty-two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the seventh F1- site, F1- is bonded in a trigonal planar geometry to three I5+ atoms. In the eighth F1- site, F1- is bonded in a distorted trigonal planar geometry to three I5+ atoms. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one I5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the twelfth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one I5+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourteenth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the sixteenth F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom. In the seventeenth F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the nineteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one I5+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the twenty-first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the twenty-second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the twenty-fourth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the twenty-sixth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. In the twenty-seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one I5+ atom. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the twenty-ninth F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom. In the thirtieth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the thirty-first F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom. In the thirty-second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one I5+ atom.