U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsVBr3 by Materials Project
Abstract
CsVBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent VBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent VBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.87 Å) and six longer (4.06 Å) Cs–Br bond lengths. V2+ is bonded to six equivalent Br1- atoms to form VBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent VBr6 octahedra. All V–Br bond lengths are 2.65 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent V2+ atoms.
- Publication Date:
- Other Number(s):
- mp-23038
- 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; Br-Cs-V; CsVBr3; crystal structure
- OSTI Identifier:
- 1199185
- DOI:
- https://doi.org/10.17188/1199185
Citation Formats
Materials Data on CsVBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199185.
Materials Data on CsVBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1199185
2020.
"Materials Data on CsVBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1199185. https://www.osti.gov/servlets/purl/1199185. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199185,
title = {Materials Data on CsVBr3 by Materials Project},
abstractNote = {CsVBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent VBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent VBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.87 Å) and six longer (4.06 Å) Cs–Br bond lengths. V2+ is bonded to six equivalent Br1- atoms to form VBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent VBr6 octahedra. All V–Br bond lengths are 2.65 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent V2+ atoms.},
doi = {10.17188/1199185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}