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Title: Materials Data on ScBrO by Materials Project

Abstract

ScOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ScOBr sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.10 Å) and two longer (2.16 Å) Sc–O bond lengths. Both Sc–Br bond lengths are 2.68 Å. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Sc3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-546279
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; ScBrO; Br-O-Sc
OSTI Identifier:
1267182
DOI:
10.17188/1267182

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ScBrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267182.
Persson, Kristin, & Project, Materials. Materials Data on ScBrO by Materials Project. United States. doi:10.17188/1267182.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ScBrO by Materials Project". United States. doi:10.17188/1267182. https://www.osti.gov/servlets/purl/1267182. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267182,
title = {Materials Data on ScBrO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ScOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ScOBr sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.10 Å) and two longer (2.16 Å) Sc–O bond lengths. Both Sc–Br bond lengths are 2.68 Å. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Sc3+ atoms.},
doi = {10.17188/1267182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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