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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KThN5O17 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Th(NO3)6 by Materials Project

K2Th(NO3)6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.29 Å. There are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are six shorter (2.60 Å) and six longer (2.61 Å) Th–O bond lengths. In the second Th4+ site, Th4+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Th–O bond distances ranging from 2.56–2.62 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Th4+, and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Th4+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Th4+, and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Th4+, and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N5+ atom.

36 MATERIALS SCIENCE↗