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Title: Materials Data on LuSBr by Materials Project

Abstract

LuSBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one LuSBr sheet oriented in the (0, 0, 1) direction. Lu3+ is bonded to four equivalent S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing LuS4Br2 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two shorter (2.67 Å) and two longer (2.69 Å) Lu–S bond lengths. Both Lu–Br bond lengths are 2.77 Å. S2- is bonded in a rectangular see-saw-like geometry to four equivalent Lu3+ atoms. Br1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.

Publication Date:
Other Number(s):
mp-27246
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; LuSBr; Br-Lu-S
OSTI Identifier:
1201445
DOI:
https://doi.org/10.17188/1201445

Citation Formats

The Materials Project. Materials Data on LuSBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201445.
The Materials Project. Materials Data on LuSBr by Materials Project. United States. doi:https://doi.org/10.17188/1201445
The Materials Project. 2020. "Materials Data on LuSBr by Materials Project". United States. doi:https://doi.org/10.17188/1201445. https://www.osti.gov/servlets/purl/1201445. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1201445,
title = {Materials Data on LuSBr by Materials Project},
author = {The Materials Project},
abstractNote = {LuSBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one LuSBr sheet oriented in the (0, 0, 1) direction. Lu3+ is bonded to four equivalent S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing LuS4Br2 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two shorter (2.67 Å) and two longer (2.69 Å) Lu–S bond lengths. Both Lu–Br bond lengths are 2.77 Å. S2- is bonded in a rectangular see-saw-like geometry to four equivalent Lu3+ atoms. Br1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.},
doi = {10.17188/1201445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}