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Materials Data on GdUN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1654280· OSTI ID:1654280
UGdN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 5°. All U–N bond lengths are 2.39 Å. Gd3+ is bonded to six equivalent N3- atoms to form GdN6 octahedra that share corners with six equivalent UN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Gd–N bond lengths are 2.53 Å. N3- is bonded to three equivalent U3+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing NGd3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.
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:
1654280
Report Number(s):
mp-1224527
Country of Publication:
United States
Language:
English

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