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Title: Materials Data on Ca(BC)2 by Materials Project

Abstract

CaB2C2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Ca–C bond lengths are 2.74 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.53 Å) and two longer (1.60 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three equivalent B3+ atoms.

Publication Date:
Other Number(s):
mp-10289
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; Ca(BC)2; B-C-Ca
OSTI Identifier:
1186879
DOI:
https://doi.org/10.17188/1186879

Citation Formats

The Materials Project. Materials Data on Ca(BC)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186879.
The Materials Project. Materials Data on Ca(BC)2 by Materials Project. United States. doi:https://doi.org/10.17188/1186879
The Materials Project. 2020. "Materials Data on Ca(BC)2 by Materials Project". United States. doi:https://doi.org/10.17188/1186879. https://www.osti.gov/servlets/purl/1186879. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186879,
title = {Materials Data on Ca(BC)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaB2C2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Ca–C bond lengths are 2.74 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.53 Å) and two longer (1.60 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three equivalent B3+ atoms.},
doi = {10.17188/1186879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}