Materials Data on Hf2SN2 by Materials Project
Hf2N2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Hf4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are three shorter (2.12 Å) and one longer (2.17 Å) Hf–N bond lengths. All Hf–S bond lengths are 2.81 Å. N3- is bonded to four equivalent Hf4+ atoms to form NHf4 tetrahedra that share corners with six equivalent SHf6 octahedra, corners with six equivalent NHf4 tetrahedra, edges with three equivalent SHf6 octahedra, and edges with three equivalent NHf4 tetrahedra. The corner-sharing octahedra tilt angles range from 31–47°. S2- is bonded to six equivalent Hf4+ atoms to form distorted SHf6 octahedra that share corners with twelve equivalent NHf4 tetrahedra, edges with six equivalent SHf6 octahedra, and edges with six equivalent NHf4 tetrahedra.
- 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:
- 1349837
- Report Number(s):
- mp-1017567
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Hf2N2O by Materials Project
Materials Data on Hf2N2O by Materials Project
Materials Data on Hf2N2O by Materials Project
Dataset
·
Fri May 01 00:00:00 EDT 2020
·
OSTI ID:1306925
Materials Data on Hf2N2O by Materials Project
Dataset
·
Thu May 11 00:00:00 EDT 2017
·
OSTI ID:1306802
Materials Data on Hf2N2O by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1304184