U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrHfN2 by Materials Project
Abstract
SrHfN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent HfN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent HfN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Sr–N bond lengths are 2.64 Å. Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent HfN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Hf–N bond lengths are 2.26 Å. N3- is bonded to three equivalent Sr2+ and three equivalent Hf4+ atoms to form a mixture of edge and corner-sharing NSr3Hf3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-9383
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Hf-N-Sr; SrHfN2; crystal structure
- OSTI Identifier:
- 1313177
- DOI:
- https://doi.org/10.17188/1313177
Citation Formats
Materials Data on SrHfN2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1313177.
Materials Data on SrHfN2 by Materials Project. United States. doi:https://doi.org/10.17188/1313177
2017.
"Materials Data on SrHfN2 by Materials Project". United States. doi:https://doi.org/10.17188/1313177. https://www.osti.gov/servlets/purl/1313177. Pub date:Sat May 20 00:00:00 EDT 2017
@article{osti_1313177,
title = {Materials Data on SrHfN2 by Materials Project},
abstractNote = {SrHfN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent HfN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent HfN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Sr–N bond lengths are 2.64 Å. Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent HfN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Hf–N bond lengths are 2.26 Å. N3- is bonded to three equivalent Sr2+ and three equivalent Hf4+ atoms to form a mixture of edge and corner-sharing NSr3Hf3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1313177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}