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Title: Materials Data on SbClO by Materials Project

Abstract

SbOCl 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 1.99–2.29 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. There are one shorter (2.00 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.43 Å) and one longer (2.97 Å) Sb–Cl bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.03 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.42 Å) and one longer (3.00 Å) Sb–Cl bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to threemore » Sb3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-504662
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; SbClO; Cl-O-Sb
OSTI Identifier:
1261897
DOI:
https://doi.org/10.17188/1261897

Citation Formats

The Materials Project. Materials Data on SbClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261897.
The Materials Project. Materials Data on SbClO by Materials Project. United States. doi:https://doi.org/10.17188/1261897
The Materials Project. 2020. "Materials Data on SbClO by Materials Project". United States. doi:https://doi.org/10.17188/1261897. https://www.osti.gov/servlets/purl/1261897. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1261897,
title = {Materials Data on SbClO by Materials Project},
author = {The Materials Project},
abstractNote = {SbOCl 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 1.99–2.29 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. There are one shorter (2.00 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.43 Å) and one longer (2.97 Å) Sb–Cl bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.03 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.42 Å) and one longer (3.00 Å) Sb–Cl bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Sb3+ atoms.},
doi = {10.17188/1261897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}