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Title: Materials Data on KNbO3 by Materials Project

Abstract

KNbO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K1+ is bonded to twelve 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 2.78–3.08 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Nb–O bond distances ranging from 1.89–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-5246
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:
1263162
DOI:
https://doi.org/10.17188/1263162

Citation Formats

The Materials Project. Materials Data on KNbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263162.
The Materials Project. Materials Data on KNbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1263162
The Materials Project. 2020. "Materials Data on KNbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1263162. https://www.osti.gov/servlets/purl/1263162. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1263162,
title = {Materials Data on KNbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KNbO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K1+ is bonded to twelve 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 2.78–3.08 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Nb–O bond distances ranging from 1.89–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1263162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}