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Title: Materials Data on CsNaMoO6 by Materials Project

Abstract

CsNaMoO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.54 Å. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.90 Å. Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.83 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Cs and two equivalent Na atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Cs, two equivalent Na, and one Mo atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Cs and one Mo atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs and one Mo atom. In the sixth O site, O is bonded in amore » distorted T-shaped geometry to one Cs and two equivalent Na atoms.« less

Publication Date:
Other Number(s):
mp-1204588
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; CsNaMoO6; Cs-Mo-Na-O
OSTI Identifier:
1663808
DOI:
https://doi.org/10.17188/1663808

Citation Formats

The Materials Project. Materials Data on CsNaMoO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663808.
The Materials Project. Materials Data on CsNaMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1663808
The Materials Project. 2019. "Materials Data on CsNaMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1663808. https://www.osti.gov/servlets/purl/1663808. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663808,
title = {Materials Data on CsNaMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNaMoO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.54 Å. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.90 Å. Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.83 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Cs and two equivalent Na atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Cs, two equivalent Na, and one Mo atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Cs and one Mo atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs and one Mo atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to one Cs and two equivalent Na atoms.},
doi = {10.17188/1663808},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}