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

Abstract

CaB2C2 crystallizes in the tetragonal P4_2/mmc 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 2.78 Å. B3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.60 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Ca2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.39 Å.

Publication Date:
Other Number(s):
mp-15607
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:
1191268
DOI:
10.17188/1191268

Citation Formats

The Materials Project. Materials Data on Ca(BC)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191268.
The Materials Project. Materials Data on Ca(BC)2 by Materials Project. United States. doi:10.17188/1191268.
The Materials Project. 2020. "Materials Data on Ca(BC)2 by Materials Project". United States. doi:10.17188/1191268. https://www.osti.gov/servlets/purl/1191268. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191268,
title = {Materials Data on Ca(BC)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaB2C2 crystallizes in the tetragonal P4_2/mmc 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 2.78 Å. B3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.60 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Ca2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.39 Å.},
doi = {10.17188/1191268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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