Materials Data on LaGdN2 by Materials Project
GdLaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent N3- atoms to form GdN6 octahedra that share corners with six equivalent LaN6 octahedra, edges with six equivalent GdN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Gd–N bond lengths are 2.54 Å. La3+ is bonded to six equivalent N3- atoms to form LaN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with six equivalent GdN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All La–N bond lengths are 2.62 Å. N3- is bonded to three equivalent Gd3+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing NLa3Gd3 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:
- 1690503
- Report Number(s):
- mp-1222851
- Country of Publication:
- United States
- Language:
- English
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