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Title: Materials Data on Lu2SO2 by Materials Project

Abstract

Lu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Lu–S bond lengths are 2.82 Å. There are three shorter (2.21 Å) and one longer (2.24 Å) Lu–O bond lengths. S2- is bonded to six equivalent Lu3+ atoms to form distorted SLu6 octahedra that share corners with twelve equivalent OLu4 tetrahedra, edges with six equivalent SLu6 octahedra, and edges with six equivalent OLu4 tetrahedra. O2- is bonded to four equivalent Lu3+ atoms to form OLu4 tetrahedra that share corners with six equivalent SLu6 octahedra, corners with six equivalent OLu4 tetrahedra, edges with three equivalent SLu6 octahedra, and edges with three equivalent OLu4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–49°.

Publication Date:
Other Number(s):
mp-12673
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; Lu2SO2; Lu-O-S
OSTI Identifier:
1183328
DOI:
https://doi.org/10.17188/1183328

Citation Formats

The Materials Project. Materials Data on Lu2SO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183328.
The Materials Project. Materials Data on Lu2SO2 by Materials Project. United States. doi:https://doi.org/10.17188/1183328
The Materials Project. 2020. "Materials Data on Lu2SO2 by Materials Project". United States. doi:https://doi.org/10.17188/1183328. https://www.osti.gov/servlets/purl/1183328. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1183328,
title = {Materials Data on Lu2SO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Lu–S bond lengths are 2.82 Å. There are three shorter (2.21 Å) and one longer (2.24 Å) Lu–O bond lengths. S2- is bonded to six equivalent Lu3+ atoms to form distorted SLu6 octahedra that share corners with twelve equivalent OLu4 tetrahedra, edges with six equivalent SLu6 octahedra, and edges with six equivalent OLu4 tetrahedra. O2- is bonded to four equivalent Lu3+ atoms to form OLu4 tetrahedra that share corners with six equivalent SLu6 octahedra, corners with six equivalent OLu4 tetrahedra, edges with three equivalent SLu6 octahedra, and edges with three equivalent OLu4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–49°.},
doi = {10.17188/1183328},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}