Materials Data on CaC2 by Materials Project
Abstract
CaC2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent C1- atoms to form CaC6 octahedra that share corners with eight equivalent CaC6 octahedra, corners with six equivalent CCa3C tetrahedra, and edges with two equivalent CaC6 octahedra. The corner-sharing octahedral tilt angles are 75°. All Ca–C bond lengths are 2.62 Å. C1- is bonded to three equivalent Ca2+ and one C1- atom to form CCa3C tetrahedra that share corners with three equivalent CaC6 octahedra, corners with thirteen equivalent CCa3C tetrahedra, and an edgeedge with one CCa3C tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. The C–C bond length is 1.26 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-684668
- 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:
- 1283950
- DOI:
- https://doi.org/10.17188/1283950
Citation Formats
The Materials Project. Materials Data on CaC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283950.
The Materials Project. Materials Data on CaC2 by Materials Project. United States. doi:https://doi.org/10.17188/1283950
The Materials Project. 2020.
"Materials Data on CaC2 by Materials Project". United States. doi:https://doi.org/10.17188/1283950. https://www.osti.gov/servlets/purl/1283950. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1283950,
title = {Materials Data on CaC2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaC2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent C1- atoms to form CaC6 octahedra that share corners with eight equivalent CaC6 octahedra, corners with six equivalent CCa3C tetrahedra, and edges with two equivalent CaC6 octahedra. The corner-sharing octahedral tilt angles are 75°. All Ca–C bond lengths are 2.62 Å. C1- is bonded to three equivalent Ca2+ and one C1- atom to form CCa3C tetrahedra that share corners with three equivalent CaC6 octahedra, corners with thirteen equivalent CCa3C tetrahedra, and an edgeedge with one CCa3C tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. The C–C bond length is 1.26 Å.},
doi = {10.17188/1283950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}