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Title: Materials Data on Sc2BC2 by Materials Project

Abstract

Sc2BC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc+2.50+ is bonded to five equivalent C4- atoms to form a mixture of corner and edge-sharing ScC5 square pyramids. There are one shorter (2.23 Å) and four longer (2.37 Å) Sc–C bond lengths. B3+ is bonded in a linear geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.48 Å. C4- is bonded to five equivalent Sc+2.50+ and one B3+ atom to form a mixture of corner and edge-sharing CSc5B octahedra. The corner-sharing octahedra tilt angles range from 0–7°.

Publication Date:
Other Number(s):
mp-10343
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; Sc2BC2; B-C-Sc
OSTI Identifier:
1187032
DOI:
10.17188/1187032

Citation Formats

The Materials Project. Materials Data on Sc2BC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187032.
The Materials Project. Materials Data on Sc2BC2 by Materials Project. United States. doi:10.17188/1187032.
The Materials Project. 2020. "Materials Data on Sc2BC2 by Materials Project". United States. doi:10.17188/1187032. https://www.osti.gov/servlets/purl/1187032. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187032,
title = {Materials Data on Sc2BC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2BC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc+2.50+ is bonded to five equivalent C4- atoms to form a mixture of corner and edge-sharing ScC5 square pyramids. There are one shorter (2.23 Å) and four longer (2.37 Å) Sc–C bond lengths. B3+ is bonded in a linear geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.48 Å. C4- is bonded to five equivalent Sc+2.50+ and one B3+ atom to form a mixture of corner and edge-sharing CSc5B octahedra. The corner-sharing octahedra tilt angles range from 0–7°.},
doi = {10.17188/1187032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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