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Title: Materials Data on YbSF by Materials Project

Abstract

SFYb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to two equivalent S2- and six equivalent F1- atoms to form YbS2F6 hexagonal bipyramids that share corners with six equivalent YbS6 octahedra and edges with six equivalent YbS2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 60°. Both Yb–S bond lengths are 3.00 Å. All Yb–F bond lengths are 2.36 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent YbS2F6 hexagonal bipyramids and edges with six equivalent YbS6 octahedra. All Yb–S bond lengths are 2.74 Å. S2- is bonded to four Yb3+ atoms to form a mixture of distorted edge and corner-sharing SYb4 trigonal pyramids. F1- is bonded in a trigonal planar geometry to three equivalent Yb3+ atoms.

Publication Date:
Other Number(s):
mp-1207509
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; YbSF; F-S-Yb
OSTI Identifier:
1679591
DOI:
https://doi.org/10.17188/1679591

Citation Formats

The Materials Project. Materials Data on YbSF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679591.
The Materials Project. Materials Data on YbSF by Materials Project. United States. doi:https://doi.org/10.17188/1679591
The Materials Project. 2020. "Materials Data on YbSF by Materials Project". United States. doi:https://doi.org/10.17188/1679591. https://www.osti.gov/servlets/purl/1679591. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679591,
title = {Materials Data on YbSF by Materials Project},
author = {The Materials Project},
abstractNote = {SFYb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to two equivalent S2- and six equivalent F1- atoms to form YbS2F6 hexagonal bipyramids that share corners with six equivalent YbS6 octahedra and edges with six equivalent YbS2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 60°. Both Yb–S bond lengths are 3.00 Å. All Yb–F bond lengths are 2.36 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent YbS2F6 hexagonal bipyramids and edges with six equivalent YbS6 octahedra. All Yb–S bond lengths are 2.74 Å. S2- is bonded to four Yb3+ atoms to form a mixture of distorted edge and corner-sharing SYb4 trigonal pyramids. F1- is bonded in a trigonal planar geometry to three equivalent Yb3+ atoms.},
doi = {10.17188/1679591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}