U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrH3 by Materials Project
Abstract
SrH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to fourteen H atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Sr–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr atoms to form HSr4 tetrahedra that share corners with twelve equivalent HSr6 octahedra, corners with sixteen equivalent HSr4 tetrahedra, edges with six equivalent HSr4 tetrahedra, and faces with four equivalent HSr6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H is bonded to six equivalent Sr atoms to form HSr6 octahedra that share corners with six equivalent HSr6 octahedra, corners with twenty-four equivalent HSr4 tetrahedra, edges with twelve equivalent HSr6 octahedra, and faces with eight equivalent HSr4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-978856
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SrH3; H-Sr
- OSTI Identifier:
- 1316015
- DOI:
- https://doi.org/10.17188/1316015
Citation Formats
The Materials Project. Materials Data on SrH3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316015.
The Materials Project. Materials Data on SrH3 by Materials Project. United States. doi:https://doi.org/10.17188/1316015
The Materials Project. 2020.
"Materials Data on SrH3 by Materials Project". United States. doi:https://doi.org/10.17188/1316015. https://www.osti.gov/servlets/purl/1316015. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1316015,
title = {Materials Data on SrH3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to fourteen H atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Sr–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr atoms to form HSr4 tetrahedra that share corners with twelve equivalent HSr6 octahedra, corners with sixteen equivalent HSr4 tetrahedra, edges with six equivalent HSr4 tetrahedra, and faces with four equivalent HSr6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H is bonded to six equivalent Sr atoms to form HSr6 octahedra that share corners with six equivalent HSr6 octahedra, corners with twenty-four equivalent HSr4 tetrahedra, edges with twelve equivalent HSr6 octahedra, and faces with eight equivalent HSr4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}