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Title: Materials Data on Ca(HoS2)2 by Materials Project

Abstract

Ca(HoS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.80 Å) and four longer (3.05 Å) Ca–S bond lengths. Ho3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing HoS8 hexagonal bipyramids. There are a spread of Ho–S bond distances ranging from 2.74–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ho3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-34011
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; Ca(HoS2)2; Ca-Ho-S
OSTI Identifier:
1206696
DOI:
https://doi.org/10.17188/1206696

Citation Formats

The Materials Project. Materials Data on Ca(HoS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206696.
The Materials Project. Materials Data on Ca(HoS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1206696
The Materials Project. 2020. "Materials Data on Ca(HoS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1206696. https://www.osti.gov/servlets/purl/1206696. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1206696,
title = {Materials Data on Ca(HoS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(HoS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.80 Å) and four longer (3.05 Å) Ca–S bond lengths. Ho3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing HoS8 hexagonal bipyramids. There are a spread of Ho–S bond distances ranging from 2.74–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ho3+ atoms.},
doi = {10.17188/1206696},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}