skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs3NO4 by Materials Project

Abstract

Cs3NO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.25 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.54 Å. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.49 Å. N5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of N–O bond distances ranging from 1.40–1.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to six Cs1+ and one N5+ atom. In the fourth O2- site, O2- is bonded inmore » a distorted single-bond geometry to five Cs1+ and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-778950
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; Cs3NO4; Cs-N-O
OSTI Identifier:
1305984
DOI:
10.17188/1305984

Citation Formats

The Materials Project. Materials Data on Cs3NO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305984.
The Materials Project. Materials Data on Cs3NO4 by Materials Project. United States. doi:10.17188/1305984.
The Materials Project. 2020. "Materials Data on Cs3NO4 by Materials Project". United States. doi:10.17188/1305984. https://www.osti.gov/servlets/purl/1305984. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1305984,
title = {Materials Data on Cs3NO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3NO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.25 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.54 Å. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.49 Å. N5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of N–O bond distances ranging from 1.40–1.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to six Cs1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one N5+ atom.},
doi = {10.17188/1305984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: