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Title: Materials Data on Pb4S2O7 by Materials Project

Abstract

Pb4SO7S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one Pb4SO7 sheet oriented in the (0, 0, 1) direction. In the Pb4SO7 sheet, there are four inequivalent Pb+2.50+ sites. In the first Pb+2.50+ site, Pb+2.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.44 Å. In the second Pb+2.50+ site, Pb+2.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.42 Å. In the third Pb+2.50+ site, Pb+2.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.36 Å. In the fourth Pb+2.50+ site, Pb+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.91 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In themore » second O2- site, O2- is bonded in a single-bond geometry to one Pb+2.50+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb+2.50+ and one S2+ atom. In the fourth O2- site, O2- is bonded to four Pb+2.50+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb+2.50+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Pb+2.50+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Pb+2.50+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193018
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pb4S2O7; O-Pb-S
OSTI Identifier:
1683659
DOI:
https://doi.org/10.17188/1683659

Citation Formats

The Materials Project. Materials Data on Pb4S2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683659.
The Materials Project. Materials Data on Pb4S2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1683659
The Materials Project. 2020. "Materials Data on Pb4S2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1683659. https://www.osti.gov/servlets/purl/1683659. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1683659,
title = {Materials Data on Pb4S2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb4SO7S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one Pb4SO7 sheet oriented in the (0, 0, 1) direction. In the Pb4SO7 sheet, there are four inequivalent Pb+2.50+ sites. In the first Pb+2.50+ site, Pb+2.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.44 Å. In the second Pb+2.50+ site, Pb+2.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.42 Å. In the third Pb+2.50+ site, Pb+2.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.36 Å. In the fourth Pb+2.50+ site, Pb+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.91 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pb+2.50+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb+2.50+ and one S2+ atom. In the fourth O2- site, O2- is bonded to four Pb+2.50+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb+2.50+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Pb+2.50+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Pb+2.50+ atoms.},
doi = {10.17188/1683659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}