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Title: Materials Data on ThN4O17 by Materials Project

Abstract

ThN4O17 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight ThN4O17 clusters. Th is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Th–O bond distances ranging from 2.38–2.64 Å. There are two 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 1.22–1.30 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. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Th atom. In the second O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 2.08 Å. In the fifth O site, O is bonded in a single-bond geometry tomore » one Th and one O atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom.« less

Publication Date:
Other Number(s):
mp-1208255
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ThN4O17; N-O-Th
OSTI Identifier:
1664178
DOI:
https://doi.org/10.17188/1664178

Citation Formats

The Materials Project. Materials Data on ThN4O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664178.
The Materials Project. Materials Data on ThN4O17 by Materials Project. United States. doi:https://doi.org/10.17188/1664178
The Materials Project. 2020. "Materials Data on ThN4O17 by Materials Project". United States. doi:https://doi.org/10.17188/1664178. https://www.osti.gov/servlets/purl/1664178. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1664178,
title = {Materials Data on ThN4O17 by Materials Project},
author = {The Materials Project},
abstractNote = {ThN4O17 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight ThN4O17 clusters. Th is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Th–O bond distances ranging from 2.38–2.64 Å. There are two 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 1.22–1.30 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. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Th atom. In the second O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 2.08 Å. In the fifth O site, O is bonded in a single-bond geometry to one Th and one O atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom.},
doi = {10.17188/1664178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}