U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Nb3Ge2O13 by Materials Project
Abstract
K3Nb3Ge2O13 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.00–3.27 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.70 Å) and two longer (2.93 Å) K–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–33°. There are a spread of Nb–O bond distances ranging from 1.98–2.07 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There is three shorter (1.74 Å) and one longer (1.77 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent Nb5+ atoms. In the second O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-541626
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K3Nb3Ge2O13; Ge-K-Nb-O
- OSTI Identifier:
- 1265190
- DOI:
- https://doi.org/10.17188/1265190
Citation Formats
The Materials Project. Materials Data on K3Nb3Ge2O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265190.
The Materials Project. Materials Data on K3Nb3Ge2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1265190
The Materials Project. 2020.
"Materials Data on K3Nb3Ge2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1265190. https://www.osti.gov/servlets/purl/1265190. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1265190,
title = {Materials Data on K3Nb3Ge2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Nb3Ge2O13 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.00–3.27 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.70 Å) and two longer (2.93 Å) K–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–33°. There are a spread of Nb–O bond distances ranging from 1.98–2.07 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There is three shorter (1.74 Å) and one longer (1.77 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to three equivalent K1+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Nb5+, and one Ge4+ atom.},
doi = {10.17188/1265190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}