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Title: Materials Data on Ge4PbO9 by Materials Project

Abstract

PbGe4O9 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.47–2.84 Å. There are three 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 GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.76 Å) and two longer (1.81 Å) Ge–O bond length. In the second 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 GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–59°. There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There is four shorter (1.91 Å) and two longer (1.96 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In themore » second O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two equivalent Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-559373
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; Ge4PbO9; Ge-O-Pb
OSTI Identifier:
1270827
DOI:
https://doi.org/10.17188/1270827

Citation Formats

The Materials Project. Materials Data on Ge4PbO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270827.
The Materials Project. Materials Data on Ge4PbO9 by Materials Project. United States. doi:https://doi.org/10.17188/1270827
The Materials Project. 2020. "Materials Data on Ge4PbO9 by Materials Project". United States. doi:https://doi.org/10.17188/1270827. https://www.osti.gov/servlets/purl/1270827. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270827,
title = {Materials Data on Ge4PbO9 by Materials Project},
author = {The Materials Project},
abstractNote = {PbGe4O9 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.47–2.84 Å. There are three 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 GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.76 Å) and two longer (1.81 Å) Ge–O bond length. In the second 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 GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–59°. There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There is four shorter (1.91 Å) and two longer (1.96 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1270827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}