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Title: Materials Data on Sc(ClO4)3 by Materials Project

Abstract

Sc(O4Cl)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sc is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sc–O bond distances ranging from 2.26–2.39 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Sc and one Cl atom. The O–Cl bond length is 1.49 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Sc and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Sc and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

Publication Date:
Other Number(s):
mp-769152
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; Sc(ClO4)3; Cl-O-Sc
OSTI Identifier:
1298656
DOI:
10.17188/1298656

Citation Formats

The Materials Project. Materials Data on Sc(ClO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298656.
The Materials Project. Materials Data on Sc(ClO4)3 by Materials Project. United States. doi:10.17188/1298656.
The Materials Project. 2020. "Materials Data on Sc(ClO4)3 by Materials Project". United States. doi:10.17188/1298656. https://www.osti.gov/servlets/purl/1298656. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298656,
title = {Materials Data on Sc(ClO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc(O4Cl)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sc is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sc–O bond distances ranging from 2.26–2.39 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Sc and one Cl atom. The O–Cl bond length is 1.49 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Sc and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Sc and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O atoms.},
doi = {10.17188/1298656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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