Materials Data on LaMoN3 by Materials Project
LaMoN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.54–3.17 Å. In the second La3+ site, La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six equivalent MoN4 tetrahedra and edges with two equivalent LaN6 octahedra. There are a spread of La–N bond distances ranging from 2.44–2.59 Å. Mo6+ is bonded to four N3- atoms to form MoN4 tetrahedra that share corners with three equivalent LaN6 octahedra and corners with two equivalent MoN4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–69°. There are a spread of Mo–N bond distances ranging from 1.79–1.97 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Mo6+ atom. In the second N3- site, N3- is bonded to three La3+ and one Mo6+ atom to form a mixture of distorted corner and edge-sharing NLa3Mo tetrahedra. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Mo6+ atoms.
- 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:
- 1316924
- Report Number(s):
- mp-989631
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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