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Title: Materials Data on CaC2 by Materials Project

Abstract

CaC2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to seven C1- atoms. There are a spread of Ca–C bond distances ranging from 2.55–2.83 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to seven C1- atoms. There are a spread of Ca–C bond distances ranging from 2.54–2.84 Å. There are four inequivalent C1- sites. In the first C1- site, C1- is bonded in a 4-coordinate geometry to three Ca2+ and one C1- atom. The C–C bond length is 1.26 Å. In the second C1- site, C1- is bonded in a 4-coordinate geometry to three Ca2+ and one C1- atom. In the third C1- site, C1- is bonded in a 5-coordinate geometry to four Ca2+ and one C1- atom. The C–C bond length is 1.26 Å. In the fourth C1- site, C1- is bonded in a 5-coordinate geometry to four Ca2+ and one C1- atom.

Authors:
Publication Date:
Other Number(s):
mp-642822
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; CaC2; C-Ca
OSTI Identifier:
1280174
DOI:
https://doi.org/10.17188/1280174

Citation Formats

The Materials Project. Materials Data on CaC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280174.
The Materials Project. Materials Data on CaC2 by Materials Project. United States. doi:https://doi.org/10.17188/1280174
The Materials Project. 2020. "Materials Data on CaC2 by Materials Project". United States. doi:https://doi.org/10.17188/1280174. https://www.osti.gov/servlets/purl/1280174. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280174,
title = {Materials Data on CaC2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaC2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to seven C1- atoms. There are a spread of Ca–C bond distances ranging from 2.55–2.83 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to seven C1- atoms. There are a spread of Ca–C bond distances ranging from 2.54–2.84 Å. There are four inequivalent C1- sites. In the first C1- site, C1- is bonded in a 4-coordinate geometry to three Ca2+ and one C1- atom. The C–C bond length is 1.26 Å. In the second C1- site, C1- is bonded in a 4-coordinate geometry to three Ca2+ and one C1- atom. In the third C1- site, C1- is bonded in a 5-coordinate geometry to four Ca2+ and one C1- atom. The C–C bond length is 1.26 Å. In the fourth C1- site, C1- is bonded in a 5-coordinate geometry to four Ca2+ and one C1- atom.},
doi = {10.17188/1280174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}