Materials Data on TiReN3 by Materials Project
TiReN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with three equivalent ReN6 octahedra, corners with six equivalent TiN6 octahedra, edges with three equivalent ReN6 octahedra, and a faceface with one ReN6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are three shorter (2.05 Å) and three longer (2.13 Å) Ti–N bond lengths. Re5+ is bonded to six equivalent N3- atoms to form ReN6 octahedra that share corners with three equivalent TiN6 octahedra, corners with six equivalent ReN6 octahedra, edges with three equivalent TiN6 octahedra, and a faceface with one TiN6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are three shorter (1.95 Å) and three longer (2.14 Å) Re–N bond lengths. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ti4+ and two equivalent Re5+ 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:
- 1317066
- Report Number(s):
- mp-996940
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ti2N2O by Materials Project
Materials Data on TiNbN2 by Materials Project