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Title: Materials Data on Ce3InC by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196225· OSTI ID:1196225

Ce3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Ce–In bond lengths are 3.53 Å. Both Ce–C bond lengths are 2.50 Å. In is bonded to twelve equivalent Ce atoms to form InCe12 cuboctahedra that share corners with twelve equivalent InCe12 cuboctahedra, faces with six equivalent InCe12 cuboctahedra, and faces with eight equivalent CCe6 octahedra. C is bonded to six equivalent Ce atoms to form CCe6 octahedra that share corners with six equivalent CCe6 octahedra and faces with eight equivalent InCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1196225
Report Number(s):
mp-20992
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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