DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2GeTeO6 by Materials Project

Abstract

Na2GeTeO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with three equivalent GeO6 octahedra, corners with six equivalent TeO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one GeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–58°. There are three shorter (2.32 Å) and three longer (2.55 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with three equivalent TeO6 octahedra, corners with six equivalent GeO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–59°. There are three shorter (2.31 Å) and three longer (2.57 Å) Na–O bond lengths. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with nine NaO6 octahedra, edges with three equivalent TeO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 37–58°. There is three shorter (1.92 Å) andmore » three longer (1.96 Å) Ge–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with nine NaO6 octahedra, edges with three equivalent GeO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 37–59°. There is three shorter (1.95 Å) and three longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ge4+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ge4+, and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-1221355
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; Na2GeTeO6; Ge-Na-O-Te
OSTI Identifier:
1680137
DOI:
https://doi.org/10.17188/1680137

Citation Formats

The Materials Project. Materials Data on Na2GeTeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680137.
The Materials Project. Materials Data on Na2GeTeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1680137
The Materials Project. 2020. "Materials Data on Na2GeTeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1680137. https://www.osti.gov/servlets/purl/1680137. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680137,
title = {Materials Data on Na2GeTeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2GeTeO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with three equivalent GeO6 octahedra, corners with six equivalent TeO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one GeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–58°. There are three shorter (2.32 Å) and three longer (2.55 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with three equivalent TeO6 octahedra, corners with six equivalent GeO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–59°. There are three shorter (2.31 Å) and three longer (2.57 Å) Na–O bond lengths. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with nine NaO6 octahedra, edges with three equivalent TeO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 37–58°. There is three shorter (1.92 Å) and three longer (1.96 Å) Ge–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with nine NaO6 octahedra, edges with three equivalent GeO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 37–59°. There is three shorter (1.95 Å) and three longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ge4+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ge4+, and one Te6+ atom.},
doi = {10.17188/1680137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}