U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-558085
- 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; Ge-K-Na-O; KNaGeO3; crystal structure
- OSTI Identifier:
- 1270149
- DOI:
- https://doi.org/10.17188/1270149
Citation Formats
Materials Data on KNaGeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270149.
Materials Data on KNaGeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1270149
2020.
"Materials Data on KNaGeO3 by Materials Project". United States. doi:https://doi.org/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},
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}
}