U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrH2 by Materials Project
Abstract
SrH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sr–H bond distances ranging from 2.42–2.82 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Sr2+ atoms to form HSr4 tetrahedra that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with two equivalent HSr4 tetrahedra. In the second H1- site, H1- is bonded to five equivalent Sr2+ atoms to form distorted HSr5 square pyramids that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with six equivalent HSr4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-23714
- 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; H-Sr; SrH2; crystal structure
- OSTI Identifier:
- 1199682
- DOI:
- https://doi.org/10.17188/1199682
Citation Formats
Materials Data on SrH2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199682.
Materials Data on SrH2 by Materials Project. United States. doi:https://doi.org/10.17188/1199682
2020.
"Materials Data on SrH2 by Materials Project". United States. doi:https://doi.org/10.17188/1199682. https://www.osti.gov/servlets/purl/1199682. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199682,
title = {Materials Data on SrH2 by Materials Project},
abstractNote = {SrH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sr–H bond distances ranging from 2.42–2.82 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Sr2+ atoms to form HSr4 tetrahedra that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with two equivalent HSr4 tetrahedra. In the second H1- site, H1- is bonded to five equivalent Sr2+ atoms to form distorted HSr5 square pyramids that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with six equivalent HSr4 tetrahedra.},
doi = {10.17188/1199682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}