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Title: Materials Data on Ga2Ge4Pb3O14 by Materials Project

Abstract

Pb3Ga2Ge4O14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent GeO4 tetrahedra. There is one shorter (1.79 Å) and three longer (1.89 Å) Ga–O bond length. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.58–2.87 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form corner-sharing GeO6 octahedra. All Ge–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ga3+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+, two equivalent Pb2+, andmore » one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and two Ge4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-636461
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; Ga2Ge4Pb3O14; Ga-Ge-O-Pb
OSTI Identifier:
1279583
DOI:
10.17188/1279583

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ga2Ge4Pb3O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279583.
Persson, Kristin, & Project, Materials. Materials Data on Ga2Ge4Pb3O14 by Materials Project. United States. doi:10.17188/1279583.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ga2Ge4Pb3O14 by Materials Project". United States. doi:10.17188/1279583. https://www.osti.gov/servlets/purl/1279583. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1279583,
title = {Materials Data on Ga2Ge4Pb3O14 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pb3Ga2Ge4O14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent GeO4 tetrahedra. There is one shorter (1.79 Å) and three longer (1.89 Å) Ga–O bond length. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.58–2.87 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form corner-sharing GeO6 octahedra. All Ge–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ga3+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+, two equivalent Pb2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and two Ge4+ atoms.},
doi = {10.17188/1279583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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