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Title: 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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7375
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KNbO3; K-Nb-O
OSTI Identifier:
1287872
DOI:
10.17188/1287872

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KNbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287872.
Persson, Kristin, & Project, Materials. Materials Data on KNbO3 by Materials Project. United States. doi:10.17188/1287872.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KNbO3 by Materials Project". United States. doi: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},
author = {Persson, Kristin and Project, Materials},
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}
}

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