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Title: Materials Data on Cs2CeN5O17 by Materials Project

Abstract

Cs2CeN5O17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.15–3.72 Å. Ce is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.68 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. 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 (1.23 Å) and two longer (1.29 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Cs, one Ce, and onemore » N atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Cs, one Ce, and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs, one Ce, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Cs, one Ce, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the ninth O site, O is bonded in a single-bond geometry to one Ce atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198000
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2CeN5O17; Ce-Cs-N-O
OSTI Identifier:
1734325
DOI:
https://doi.org/10.17188/1734325

Citation Formats

The Materials Project. Materials Data on Cs2CeN5O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734325.
The Materials Project. Materials Data on Cs2CeN5O17 by Materials Project. United States. doi:https://doi.org/10.17188/1734325
The Materials Project. 2020. "Materials Data on Cs2CeN5O17 by Materials Project". United States. doi:https://doi.org/10.17188/1734325. https://www.osti.gov/servlets/purl/1734325. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734325,
title = {Materials Data on Cs2CeN5O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2CeN5O17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.15–3.72 Å. Ce is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.68 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. 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 (1.23 Å) and two longer (1.29 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Cs, one Ce, and one N atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Cs, one Ce, and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs, one Ce, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Cs, one Ce, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the ninth O site, O is bonded in a single-bond geometry to one Ce atom.},
doi = {10.17188/1734325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}