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Materials Data on Gd2CBr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202613· OSTI ID:1202613
Gd2CBr is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to three equivalent C and three equivalent Br atoms to form a mixture of distorted corner, edge, and face-sharing GdC3Br3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. All Gd–C bond lengths are 2.51 Å. All Gd–Br bond lengths are 3.15 Å. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. Br is bonded in a 6-coordinate geometry to six equivalent Gd atoms.
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:
1202613
Report Number(s):
mp-28522
Country of Publication:
United States
Language:
English

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