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Title: Materials Data on Na2TiGeO5 by Materials Project

Abstract

Na2TiGeO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are four shorter (2.33 Å) and two longer (2.70 Å) Na–O bond lengths. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.72 Å) and four longer (2.01 Å) Ti–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Ti4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one Ti4+ atom.

Publication Date:
Other Number(s):
mp-6228
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; Na2TiGeO5; Ge-Na-O-Ti
OSTI Identifier:
1272937
DOI:
10.17188/1272937

Citation Formats

The Materials Project. Materials Data on Na2TiGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272937.
The Materials Project. Materials Data on Na2TiGeO5 by Materials Project. United States. doi:10.17188/1272937.
The Materials Project. 2020. "Materials Data on Na2TiGeO5 by Materials Project". United States. doi:10.17188/1272937. https://www.osti.gov/servlets/purl/1272937. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272937,
title = {Materials Data on Na2TiGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2TiGeO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are four shorter (2.33 Å) and two longer (2.70 Å) Na–O bond lengths. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.72 Å) and four longer (2.01 Å) Ti–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Ti4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one Ti4+ atom.},
doi = {10.17188/1272937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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