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Title: Materials Data on Si2Pb3O7 by Materials Project

Abstract

Pb3Si2O7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Pb–O bond lengths are 2.52 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. All Pb–O bond lengths are 2.65 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.22–2.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one PbO6 pentagonal pyramid and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 120more » degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-21767
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; Si2Pb3O7; O-Pb-Si
OSTI Identifier:
1197158
DOI:
https://doi.org/10.17188/1197158

Citation Formats

The Materials Project. Materials Data on Si2Pb3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197158.
The Materials Project. Materials Data on Si2Pb3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1197158
The Materials Project. 2020. "Materials Data on Si2Pb3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1197158. https://www.osti.gov/servlets/purl/1197158. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1197158,
title = {Materials Data on Si2Pb3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3Si2O7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Pb–O bond lengths are 2.52 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. All Pb–O bond lengths are 2.65 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.22–2.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one PbO6 pentagonal pyramid and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Si4+ atom.},
doi = {10.17188/1197158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}