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Title: Materials Data on LuSeF by Materials Project

Abstract

LuSeF crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to two equivalent Se2- and six equivalent F1- atoms to form LuSe2F6 hexagonal bipyramids that share corners with six equivalent LuSe6 octahedra and edges with six equivalent LuSe2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. Both Lu–Se bond lengths are 2.83 Å. All Lu–F bond lengths are 2.32 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Se2- atoms to form LuSe6 octahedra that share corners with six equivalent LuSe2F6 hexagonal bipyramids and edges with six equivalent LuSe6 octahedra. All Lu–Se bond lengths are 2.80 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to four Lu3+ atoms. F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1210620
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; LuSeF; F-Lu-Se
OSTI Identifier:
1746467
DOI:
https://doi.org/10.17188/1746467

Citation Formats

The Materials Project. Materials Data on LuSeF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746467.
The Materials Project. Materials Data on LuSeF by Materials Project. United States. doi:https://doi.org/10.17188/1746467
The Materials Project. 2020. "Materials Data on LuSeF by Materials Project". United States. doi:https://doi.org/10.17188/1746467. https://www.osti.gov/servlets/purl/1746467. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746467,
title = {Materials Data on LuSeF by Materials Project},
author = {The Materials Project},
abstractNote = {LuSeF crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to two equivalent Se2- and six equivalent F1- atoms to form LuSe2F6 hexagonal bipyramids that share corners with six equivalent LuSe6 octahedra and edges with six equivalent LuSe2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. Both Lu–Se bond lengths are 2.83 Å. All Lu–F bond lengths are 2.32 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Se2- atoms to form LuSe6 octahedra that share corners with six equivalent LuSe2F6 hexagonal bipyramids and edges with six equivalent LuSe6 octahedra. All Lu–Se bond lengths are 2.80 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to four Lu3+ atoms. F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms.},
doi = {10.17188/1746467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}