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Materials Data on CaC2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1191356· OSTI ID:1191356
CaC2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent C1- atoms to form distorted edge-sharing CaC8 hexagonal bipyramids. There are a spread of Ca–C bond distances ranging from 2.57–2.83 Å. C1- is bonded in a 5-coordinate geometry to four equivalent Ca2+ and one C1- atom. The C–C bond length is 1.26 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1191356
Report Number(s):
mp-1575
Country of Publication:
United States
Language:
English

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