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

Title: Materials Data on CoSbS by Materials Project

Abstract

CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form CoSb3S3 octahedra that share corners with eight equivalent CoSb3S3 octahedra, corners with three equivalent SbCo3S tetrahedra, corners with three equivalent SCo3Sb tetrahedra, and edges with two equivalent CoSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There are one shorter (2.49 Å) and two longer (2.50 Å) Co–Sb bond lengths. There are one shorter (2.28 Å) and two longer (2.35 Å) Co–S bond lengths. Sb1- is bonded to three equivalent Co3+ and one S2- atom to form SbCo3S tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SbCo3S tetrahedra, corners with seven equivalent SCo3Sb tetrahedra, and an edgeedge with one SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 75–77°. The Sb–S bond length is 2.58 Å. S2- is bonded to three equivalent Co3+ and one Sb1- atom to form SCo3Sb tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SCo3Sb tetrahedra, corners with seven equivalent SbCo3S tetrahedra, and an edgeedge with one SbCo3S tetrahedra. The corner-sharing octahedra tilt angles rangemore » from 72–82°.« less

Publication Date:
Other Number(s):
mp-4962
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; CoSbS; Co-S-Sb
OSTI Identifier:
1208517
DOI:
https://doi.org/10.17188/1208517

Citation Formats

The Materials Project. Materials Data on CoSbS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208517.
The Materials Project. Materials Data on CoSbS by Materials Project. United States. doi:https://doi.org/10.17188/1208517
The Materials Project. 2020. "Materials Data on CoSbS by Materials Project". United States. doi:https://doi.org/10.17188/1208517. https://www.osti.gov/servlets/purl/1208517. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208517,
title = {Materials Data on CoSbS by Materials Project},
author = {The Materials Project},
abstractNote = {CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form CoSb3S3 octahedra that share corners with eight equivalent CoSb3S3 octahedra, corners with three equivalent SbCo3S tetrahedra, corners with three equivalent SCo3Sb tetrahedra, and edges with two equivalent CoSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There are one shorter (2.49 Å) and two longer (2.50 Å) Co–Sb bond lengths. There are one shorter (2.28 Å) and two longer (2.35 Å) Co–S bond lengths. Sb1- is bonded to three equivalent Co3+ and one S2- atom to form SbCo3S tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SbCo3S tetrahedra, corners with seven equivalent SCo3Sb tetrahedra, and an edgeedge with one SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 75–77°. The Sb–S bond length is 2.58 Å. S2- is bonded to three equivalent Co3+ and one Sb1- atom to form SCo3Sb tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SCo3Sb tetrahedra, corners with seven equivalent SbCo3S tetrahedra, and an edgeedge with one SbCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 72–82°.},
doi = {10.17188/1208517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}