U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaSbF5 by Materials Project
Abstract
CaSbF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded to six F1- atoms to form CaF6 octahedra that share corners with six equivalent SbF5 square pyramids and an edgeedge with one CaF6 octahedra. There are a spread of Ca–F bond distances ranging from 2.24–2.39 Å. Sb3+ is bonded to five F1- atoms to form distorted SbF5 square pyramids that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedra tilt angles range from 29–60°. There are a spread of Sb–F bond distances ranging from 2.01–2.26 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry tomore »
- Publication Date:
- Other Number(s):
- mvc-3481
- 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; Ca-F-Sb; CaSbF5; crystal structure
- OSTI Identifier:
- 1320588
- DOI:
- https://doi.org/10.17188/1320588
Citation Formats
Materials Data on CaSbF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320588.
Materials Data on CaSbF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320588
2020.
"Materials Data on CaSbF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320588. https://www.osti.gov/servlets/purl/1320588. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1320588,
title = {Materials Data on CaSbF5 by Materials Project},
abstractNote = {CaSbF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded to six F1- atoms to form CaF6 octahedra that share corners with six equivalent SbF5 square pyramids and an edgeedge with one CaF6 octahedra. There are a spread of Ca–F bond distances ranging from 2.24–2.39 Å. Sb3+ is bonded to five F1- atoms to form distorted SbF5 square pyramids that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedra tilt angles range from 29–60°. There are a spread of Sb–F bond distances ranging from 2.01–2.26 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one Sb3+ atom.},
doi = {10.17188/1320588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}