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Title: Materials Data on SbBrO by Materials Project

Abstract

SbOBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.34 Å. In the second Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. There are one shorter (2.01 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.62 Å) and one longer (3.19 Å) Sb–Br bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. Both Sb–O bond lengths are 2.05 Å. There are one shorter (2.60 Å) and one longer (3.18 Å) Sb–Br bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are three inequivalent Br1- sites. Inmore » the first Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two Sb3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768372
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; SbBrO; Br-O-Sb
OSTI Identifier:
1298396
DOI:
10.17188/1298396

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbBrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298396.
Persson, Kristin, & Project, Materials. Materials Data on SbBrO by Materials Project. United States. doi:10.17188/1298396.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbBrO by Materials Project". United States. doi:10.17188/1298396. https://www.osti.gov/servlets/purl/1298396. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298396,
title = {Materials Data on SbBrO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SbOBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.34 Å. In the second Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. There are one shorter (2.01 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.62 Å) and one longer (3.19 Å) Sb–Br bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. Both Sb–O bond lengths are 2.05 Å. There are one shorter (2.60 Å) and one longer (3.18 Å) Sb–Br bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two Sb3+ atoms.},
doi = {10.17188/1298396},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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