Materials Data on KThN5O17 by Materials Project

Abstract

KThN5O17 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.86–3.32 Å. Th is bonded in a distorted cuboctahedral geometry to twelve O atoms. There are a spread of Th–O bond distances ranging from 2.35–2.68 Å. There are five inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. In the fourth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fifth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to one K, one Th, and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one K, one Th, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Th atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one K and one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one K, one Th, and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one K and one N atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to one Th and one N atom. In the twelfth O site, O is bonded in a single-bond geometry to one K and one Th atom. In the thirteenth O site, O is bonded in a distorted water-like geometry to one Th and one N atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Th and one N atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one K and one N atom. In the seventeenth O site, O is bonded in a single-bond geometry to one K and one N atom.