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Title: Materials Data on ScClO by Materials Project

Abstract

ScOCl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ScOCl sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a distorted single-bond geometry to one O2- and four equivalent Cl1- atoms. The Sc–O bond length is 1.78 Å. All Sc–Cl bond lengths are 2.69 Å. O2- is bonded in a single-bond geometry to one Sc3+ atom. Cl1- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing ClSc4 tetrahedra.

Publication Date:
Other Number(s):
mp-990436
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; ScClO; Cl-O-Sc
OSTI Identifier:
1316961
DOI:
https://doi.org/10.17188/1316961

Citation Formats

The Materials Project. Materials Data on ScClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316961.
The Materials Project. Materials Data on ScClO by Materials Project. United States. doi:https://doi.org/10.17188/1316961
The Materials Project. 2020. "Materials Data on ScClO by Materials Project". United States. doi:https://doi.org/10.17188/1316961. https://www.osti.gov/servlets/purl/1316961. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316961,
title = {Materials Data on ScClO by Materials Project},
author = {The Materials Project},
abstractNote = {ScOCl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ScOCl sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a distorted single-bond geometry to one O2- and four equivalent Cl1- atoms. The Sc–O bond length is 1.78 Å. All Sc–Cl bond lengths are 2.69 Å. O2- is bonded in a single-bond geometry to one Sc3+ atom. Cl1- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing ClSc4 tetrahedra.},
doi = {10.17188/1316961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}