Materials Data on LaWN3 by Materials Project
LaWN3 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 to six N3- atoms to form LaN6 octahedra that share corners with six equivalent WN4 tetrahedra and edges with two equivalent LaN6 octahedra. There are a spread of La–N bond distances ranging from 2.43–2.60 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are four shorter (2.53 Å) and two longer (2.82 Å) La–N bond lengths. W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with three equivalent LaN6 octahedra and corners with two equivalent WN4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–69°. There are a spread of W–N bond distances ranging from 1.81–1.96 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one W6+ atom. In the third N3- site, N3- is bonded to three La3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NLa3W tetrahedra.
- 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:
- 1316926
- Report Number(s):
- mp-989633
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on LaWN3 by Materials Project
Materials Data on LaWN3 by Materials Project