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Title: Materials Data on CaC2 by Materials Project

Abstract

CaC2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten C1- atoms. There are a spread of Ca–C bond distances ranging from 2.64–2.67 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a 8-coordinate geometry to six equivalent Ca2+ and two equivalent C1- atoms. Both C–C bond lengths are 1.55 Å. In the second C1- site, C1- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three C1- atoms. The C–C bond length is 1.46 Å.

Publication Date:
Other Number(s):
mp-1072492
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; CaC2; C-Ca
OSTI Identifier:
1759492
DOI:
https://doi.org/10.17188/1759492

Citation Formats

The Materials Project. Materials Data on CaC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759492.
The Materials Project. Materials Data on CaC2 by Materials Project. United States. doi:https://doi.org/10.17188/1759492
The Materials Project. 2020. "Materials Data on CaC2 by Materials Project". United States. doi:https://doi.org/10.17188/1759492. https://www.osti.gov/servlets/purl/1759492. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759492,
title = {Materials Data on CaC2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaC2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten C1- atoms. There are a spread of Ca–C bond distances ranging from 2.64–2.67 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a 8-coordinate geometry to six equivalent Ca2+ and two equivalent C1- atoms. Both C–C bond lengths are 1.55 Å. In the second C1- site, C1- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three C1- atoms. The C–C bond length is 1.46 Å.},
doi = {10.17188/1759492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}