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Title: Materials Data on Sc2CCl2 by Materials Project

Abstract

Sc2CCl2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Sc2CCl2 sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded to three equivalent C4- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing ScC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–C bond lengths are 2.34 Å. All Sc–Cl bond lengths are 2.60 Å. C4- is bonded to six equivalent Sc3+ atoms to form edge-sharing CSc6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Sc3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28479
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; Sc2CCl2; C-Cl-Sc
OSTI Identifier:
1202577
DOI:
https://doi.org/10.17188/1202577

Citation Formats

The Materials Project. Materials Data on Sc2CCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202577.
The Materials Project. Materials Data on Sc2CCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1202577
The Materials Project. 2020. "Materials Data on Sc2CCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1202577. https://www.osti.gov/servlets/purl/1202577. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202577,
title = {Materials Data on Sc2CCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2CCl2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Sc2CCl2 sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded to three equivalent C4- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing ScC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–C bond lengths are 2.34 Å. All Sc–Cl bond lengths are 2.60 Å. C4- is bonded to six equivalent Sc3+ atoms to form edge-sharing CSc6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Sc3+ atoms.},
doi = {10.17188/1202577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}