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Title: Materials Data on Ho(CuS)3 by Materials Project

Abstract

Ho(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.35–2.43 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1224178
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho(CuS)3; Cu-Ho-S
OSTI Identifier:
1734153
DOI:
https://doi.org/10.17188/1734153

Citation Formats

The Materials Project. Materials Data on Ho(CuS)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734153.
The Materials Project. Materials Data on Ho(CuS)3 by Materials Project. United States. doi:https://doi.org/10.17188/1734153
The Materials Project. 2020. "Materials Data on Ho(CuS)3 by Materials Project". United States. doi:https://doi.org/10.17188/1734153. https://www.osti.gov/servlets/purl/1734153. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1734153,
title = {Materials Data on Ho(CuS)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.35–2.43 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1734153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}