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Title: Materials Data on NaNbGeO5 by Materials Project

Abstract

NaNbGeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Nb–O bond distances ranging from 1.83–2.23 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Nb5+, and one Ge4+ atom to form distorted edge-sharing ONa2NbGe tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the fourth O2- site, O2- ismore » bonded in a 3-coordinate geometry to one Na1+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17164
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; NaNbGeO5; Ge-Na-Nb-O
OSTI Identifier:
1192366
DOI:
https://doi.org/10.17188/1192366

Citation Formats

The Materials Project. Materials Data on NaNbGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192366.
The Materials Project. Materials Data on NaNbGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1192366
The Materials Project. 2020. "Materials Data on NaNbGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1192366. https://www.osti.gov/servlets/purl/1192366. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192366,
title = {Materials Data on NaNbGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNbGeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Nb–O bond distances ranging from 1.83–2.23 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Nb5+, and one Ge4+ atom to form distorted edge-sharing ONa2NbGe tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom.},
doi = {10.17188/1192366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}