U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2NaInBr6 by Materials Project
Abstract
K2NaInBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent InBr6 octahedra. All K–Br bond lengths are 3.96 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 2.90 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.70 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one In3+ atom.
- Publication Date:
- Other Number(s):
- mp-1111640
- 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-In-K-Na; K2NaInBr6; crystal structure
- OSTI Identifier:
- 1752754
- DOI:
- https://doi.org/10.17188/1752754
Citation Formats
Materials Data on K2NaInBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752754.
Materials Data on K2NaInBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1752754
2020.
"Materials Data on K2NaInBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1752754. https://www.osti.gov/servlets/purl/1752754. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1752754,
title = {Materials Data on K2NaInBr6 by Materials Project},
abstractNote = {K2NaInBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent InBr6 octahedra. All K–Br bond lengths are 3.96 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 2.90 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.70 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one In3+ atom.},
doi = {10.17188/1752754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}