U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNbO3 by Materials Project
Abstract
KNbO3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.80–3.00 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. There are three shorter (1.91 Å) and three longer (2.19 Å) Nb–O bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.
- Publication Date:
- Other Number(s):
- mp-7375
- 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; K-Nb-O; KNbO3; crystal structure
- OSTI Identifier:
- 1287872
- DOI:
- https://doi.org/10.17188/1287872
Citation Formats
Materials Data on KNbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287872.
Materials Data on KNbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1287872
2020.
"Materials Data on KNbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1287872. https://www.osti.gov/servlets/purl/1287872. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287872,
title = {Materials Data on KNbO3 by Materials Project},
abstractNote = {KNbO3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.80–3.00 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. There are three shorter (1.91 Å) and three longer (2.19 Å) Nb–O bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1287872},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}