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

Title: Materials Data on Cr2SeS by Materials Project

Abstract

Cr2SeS is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of face, edge, and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. All Cr–Se bond lengths are 2.63 Å. All Cr–S bond lengths are 2.57 Å. Se2- is bonded to six equivalent Cr2+ atoms to form distorted edge-sharing SeCr6 pentagonal pyramids. S2- is bonded in a 6-coordinate geometry to six equivalent Cr2+ atoms.

Publication Date:
Other Number(s):
mp-1226267
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; Cr2SeS; Cr-S-Se
OSTI Identifier:
1745214
DOI:
https://doi.org/10.17188/1745214

Citation Formats

The Materials Project. Materials Data on Cr2SeS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745214.
The Materials Project. Materials Data on Cr2SeS by Materials Project. United States. doi:https://doi.org/10.17188/1745214
The Materials Project. 2020. "Materials Data on Cr2SeS by Materials Project". United States. doi:https://doi.org/10.17188/1745214. https://www.osti.gov/servlets/purl/1745214. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1745214,
title = {Materials Data on Cr2SeS by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2SeS is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of face, edge, and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. All Cr–Se bond lengths are 2.63 Å. All Cr–S bond lengths are 2.57 Å. Se2- is bonded to six equivalent Cr2+ atoms to form distorted edge-sharing SeCr6 pentagonal pyramids. S2- is bonded in a 6-coordinate geometry to six equivalent Cr2+ atoms.},
doi = {10.17188/1745214},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}