Materials Data on Mg2TiN2 by Materials Project
Mg2TiN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.21–2.34 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.11–2.24 Å. Ti2+ is bonded in a T-shaped geometry to three N3- atoms. There are a spread of Ti–N bond distances ranging from 1.91–2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Ti2+ atom to form a mixture of edge and corner-sharing NMg5Ti octahedra. The corner-sharing octahedra tilt angles range from 2–11°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Ti2+ atoms to form a mixture of edge and corner-sharing NMg4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 2–13°.
- 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:
- 1319253
- Report Number(s):
- mvc-14558
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Mg2VN2 by Materials Project
Materials Data on Mg2SnN2 by Materials Project