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Materials Data on ZrC by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1337296· OSTI ID:1337296

ZrC is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 6-coordinate geometry to six equivalent C4- atoms. All Zr–C bond lengths are 2.36 Å. C4- is bonded to six equivalent Zr4+ atoms to form a mixture of edge, corner, and face-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 49°.

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:
1337296
Report Number(s):
mp-1014307
Country of Publication:
United States
Language:
English

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