U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2NdAgBr6 by Materials Project
Abstract
Cs2NdAgBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent NdBr6 octahedra, and faces with four equivalent AgBr6 octahedra. All Cs–Br bond lengths are 4.08 Å. Nd3+ is bonded to six equivalent Br1- atoms to form NdBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Br bond lengths are 2.89 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent NdBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.89 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Nd3+, and one Ag1+ atom.
- Publication Date:
- Other Number(s):
- mp-1112944
- 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; Ag-Br-Cs-Nd; Cs2NdAgBr6; crystal structure
- OSTI Identifier:
- 1723952
- DOI:
- https://doi.org/10.17188/1723952
Citation Formats
Materials Data on Cs2NdAgBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723952.
Materials Data on Cs2NdAgBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1723952
2020.
"Materials Data on Cs2NdAgBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1723952. https://www.osti.gov/servlets/purl/1723952. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723952,
title = {Materials Data on Cs2NdAgBr6 by Materials Project},
abstractNote = {Cs2NdAgBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent NdBr6 octahedra, and faces with four equivalent AgBr6 octahedra. All Cs–Br bond lengths are 4.08 Å. Nd3+ is bonded to six equivalent Br1- atoms to form NdBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Br bond lengths are 2.89 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent NdBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.89 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Nd3+, and one Ag1+ atom.},
doi = {10.17188/1723952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}