U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrF2 by Materials Project
Abstract
SrF2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to eleven F1- atoms. There are a spread of Sr–F bond distances ranging from 2.40–2.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to six equivalent Sr2+ atoms to form distorted FSr6 octahedra that share corners with twelve equivalent FSr6 octahedra, corners with twelve equivalent FSr5 trigonal bipyramids, edges with six equivalent FSr6 octahedra, faces with two equivalent FSr6 octahedra, and faces with six equivalent FSr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second F1- site, F1- is bonded to five equivalent Sr2+ atoms to form distorted FSr5 trigonal bipyramids that share corners with twelve equivalent FSr6 octahedra, corners with eight equivalent FSr5 trigonal bipyramids, edges with six equivalent FSr5 trigonal bipyramids, and faces with six equivalent FSr6 octahedra. The corner-sharing octahedra tilt angles range from 31–59°.
- Publication Date:
- Other Number(s):
- mp-1019258
- 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; F-Sr; SrF2; crystal structure
- OSTI Identifier:
- 1350664
- DOI:
- https://doi.org/10.17188/1350664
Citation Formats
Materials Data on SrF2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350664.
Materials Data on SrF2 by Materials Project. United States. doi:https://doi.org/10.17188/1350664
2020.
"Materials Data on SrF2 by Materials Project". United States. doi:https://doi.org/10.17188/1350664. https://www.osti.gov/servlets/purl/1350664. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1350664,
title = {Materials Data on SrF2 by Materials Project},
abstractNote = {SrF2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to eleven F1- atoms. There are a spread of Sr–F bond distances ranging from 2.40–2.94 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to six equivalent Sr2+ atoms to form distorted FSr6 octahedra that share corners with twelve equivalent FSr6 octahedra, corners with twelve equivalent FSr5 trigonal bipyramids, edges with six equivalent FSr6 octahedra, faces with two equivalent FSr6 octahedra, and faces with six equivalent FSr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second F1- site, F1- is bonded to five equivalent Sr2+ atoms to form distorted FSr5 trigonal bipyramids that share corners with twelve equivalent FSr6 octahedra, corners with eight equivalent FSr5 trigonal bipyramids, edges with six equivalent FSr5 trigonal bipyramids, and faces with six equivalent FSr6 octahedra. The corner-sharing octahedra tilt angles range from 31–59°.},
doi = {10.17188/1350664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}