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Title: Materials Data on KNaGeO3 by Materials Project

Abstract

KNaGeO3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.26 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent GeO4 tetrahedra, corners with two equivalent NaO5 trigonal bipyramids, an edgeedge with one GeO4 tetrahedra, and edges with two equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.28–2.60 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO4 tetrahedra, corners with four equivalent NaO5 trigonal bipyramids, and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.73–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+, one Na1+, and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, three equivalent Na1+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry tomore » four equivalent K1+, one Na1+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-558085
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; KNaGeO3; Ge-K-Na-O
OSTI Identifier:
1270149
DOI:
10.17188/1270149

Citation Formats

The Materials Project. Materials Data on KNaGeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270149.
The Materials Project. Materials Data on KNaGeO3 by Materials Project. United States. doi:10.17188/1270149.
The Materials Project. 2020. "Materials Data on KNaGeO3 by Materials Project". United States. doi:10.17188/1270149. https://www.osti.gov/servlets/purl/1270149. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270149,
title = {Materials Data on KNaGeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaGeO3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.26 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent GeO4 tetrahedra, corners with two equivalent NaO5 trigonal bipyramids, an edgeedge with one GeO4 tetrahedra, and edges with two equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.28–2.60 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO4 tetrahedra, corners with four equivalent NaO5 trigonal bipyramids, and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.73–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+, one Na1+, and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, three equivalent Na1+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+, one Na1+, and one Ge4+ atom.},
doi = {10.17188/1270149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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