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Title: Materials Data on K2CrO4 by Materials Project

Abstract

K2CrO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.42 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.15 Å. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.66–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom.

Publication Date:
Other Number(s):
mp-775274
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; K2CrO4; Cr-K-O
OSTI Identifier:
1302982
DOI:
https://doi.org/10.17188/1302982

Citation Formats

The Materials Project. Materials Data on K2CrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302982.
The Materials Project. Materials Data on K2CrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1302982
The Materials Project. 2020. "Materials Data on K2CrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1302982. https://www.osti.gov/servlets/purl/1302982. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1302982,
title = {Materials Data on K2CrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2CrO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.42 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.15 Å. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.66–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Cr6+ atom.},
doi = {10.17188/1302982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}