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Title: Materials Data on Yb(SmS2)2 by Materials Project

Abstract

Yb(SmS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent SmS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent SmS8 hexagonal bipyramids. There are four shorter (2.84 Å) and four longer (3.03 Å) Yb–S bond lengths. Sm3+ is bonded to eight equivalent S2- atoms to form distorted SmS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent SmS8 hexagonal bipyramids, edges with four equivalent SmS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.83–3.03 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Sm3+ atoms to form a mixture of distorted edge, face, and corner-sharing SYb2Sm4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

Authors:
Publication Date:
Other Number(s):
mp-675677
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; Yb(SmS2)2; S-Sm-Yb
OSTI Identifier:
1282795
DOI:
https://doi.org/10.17188/1282795

Citation Formats

The Materials Project. Materials Data on Yb(SmS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282795.
The Materials Project. Materials Data on Yb(SmS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282795
The Materials Project. 2020. "Materials Data on Yb(SmS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282795. https://www.osti.gov/servlets/purl/1282795. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282795,
title = {Materials Data on Yb(SmS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(SmS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent SmS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent SmS8 hexagonal bipyramids. There are four shorter (2.84 Å) and four longer (3.03 Å) Yb–S bond lengths. Sm3+ is bonded to eight equivalent S2- atoms to form distorted SmS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent SmS8 hexagonal bipyramids, edges with four equivalent SmS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.83–3.03 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Sm3+ atoms to form a mixture of distorted edge, face, and corner-sharing SYb2Sm4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.},
doi = {10.17188/1282795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}