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Title: Materials Data on NaGa(GeO3)2 by Materials Project

Abstract

NaGa(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.83 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.11 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent GaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Ga3+, and one Ge4+ atom. In the second O2- site, O2- is bonded to one Na1+, two equivalent Ga3+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONaGa2Ge tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Ge4+more » atoms.« less

Publication Date:
Other Number(s):
mp-1020596
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; NaGa(GeO3)2; Ga-Ge-Na-O
OSTI Identifier:
1351487
DOI:
10.17188/1351487

Citation Formats

The Materials Project. Materials Data on NaGa(GeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351487.
The Materials Project. Materials Data on NaGa(GeO3)2 by Materials Project. United States. doi:10.17188/1351487.
The Materials Project. 2020. "Materials Data on NaGa(GeO3)2 by Materials Project". United States. doi:10.17188/1351487. https://www.osti.gov/servlets/purl/1351487. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1351487,
title = {Materials Data on NaGa(GeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaGa(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.83 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.11 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent GaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Ga3+, and one Ge4+ atom. In the second O2- site, O2- is bonded to one Na1+, two equivalent Ga3+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONaGa2Ge tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1351487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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