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Title: Materials Data on K2NbO6 by Materials Project

Abstract

K2NbO6 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. K is bonded to twelve O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with four equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.96–3.14 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share faces with eight equivalent KO12 cuboctahedra. There are a spread of Nb–O bond distances ranging from 1.93–2.03 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Nb atom. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Nb atom. In the third O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Nb atom.

Publication Date:
Other Number(s):
mp-675298
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; K2NbO6; K-Nb-O
OSTI Identifier:
1282651
DOI:
https://doi.org/10.17188/1282651

Citation Formats

The Materials Project. Materials Data on K2NbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282651.
The Materials Project. Materials Data on K2NbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1282651
The Materials Project. 2020. "Materials Data on K2NbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1282651. https://www.osti.gov/servlets/purl/1282651. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1282651,
title = {Materials Data on K2NbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NbO6 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. K is bonded to twelve O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with four equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.96–3.14 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share faces with eight equivalent KO12 cuboctahedra. There are a spread of Nb–O bond distances ranging from 1.93–2.03 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Nb atom. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Nb atom. In the third O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Nb atom.},
doi = {10.17188/1282651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}