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Title: Materials Data on Cs2CrO4 by Materials Project

Abstract

Cs2CrO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.52 Å. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Cr–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four Cs1+ and one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to five Cs1+ and one Cr6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647813
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; Cs2CrO4; Cr-Cs-O
OSTI Identifier:
1280775
DOI:
10.17188/1280775

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2CrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280775.
Persson, Kristin, & Project, Materials. Materials Data on Cs2CrO4 by Materials Project. United States. doi:10.17188/1280775.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2CrO4 by Materials Project". United States. doi:10.17188/1280775. https://www.osti.gov/servlets/purl/1280775. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280775,
title = {Materials Data on Cs2CrO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2CrO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.52 Å. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Cr–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four Cs1+ and one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to five Cs1+ and one Cr6+ atom.},
doi = {10.17188/1280775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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