U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsCdBr3 by Materials Project
Abstract
CsCdBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent CdBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent CdBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Br bond lengths are 2.81 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-570231
- 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-Cd-Cs; CsCdBr3; crystal structure
- OSTI Identifier:
- 1275593
- DOI:
- https://doi.org/10.17188/1275593
Citation Formats
Materials Data on CsCdBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275593.
Materials Data on CsCdBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1275593
2020.
"Materials Data on CsCdBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1275593. https://www.osti.gov/servlets/purl/1275593. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275593,
title = {Materials Data on CsCdBr3 by Materials Project},
abstractNote = {CsCdBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent CdBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent CdBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Br bond lengths are 2.81 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1275593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}