Materials Data on CaC2 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1280174
- Report Number(s):
- mp-642822
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on CaC2 by Materials Project
Materials Data on CaC2 by Materials Project