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Title: Materials Data on Ce2CoSi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195479· OSTI ID:1195479

Ce2CoSi3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.08 Å. In the second Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form face-sharing CeSi12 cuboctahedra. All Ce–Si bond lengths are 3.13 Å. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to six Ce4+, one Co4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.37 Å.

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:
1195479
Report Number(s):
mp-20355
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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