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Title: Materials Data on Sb2Pb2O7 by Materials Project

Abstract

Pb2Sb2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.22 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.72 Å. In the third Pb2+ site, Pb2+ is bonded in a linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.66 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 2.05 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.43 Å) and two longer (2.49 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.58 Å) and two longer (2.01 Å) Sb–O bond length. In the third Sb5+ site, Sb5+ is bonded in a distorted linear geometry to six O2-more » atoms. There are a spread of Sb–O bond distances ranging from 1.72–2.54 Å. In the fourth Sb5+ site, Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.22 Å) and two longer (2.54 Å) Sb–O bond lengths. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and two Sb5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Sb5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Sb5+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Sb5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647520
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; Sb2Pb2O7; O-Pb-Sb
OSTI Identifier:
1280720
DOI:
10.17188/1280720

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sb2Pb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280720.
Persson, Kristin, & Project, Materials. Materials Data on Sb2Pb2O7 by Materials Project. United States. doi:10.17188/1280720.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sb2Pb2O7 by Materials Project". United States. doi:10.17188/1280720. https://www.osti.gov/servlets/purl/1280720. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280720,
title = {Materials Data on Sb2Pb2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pb2Sb2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.22 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.72 Å. In the third Pb2+ site, Pb2+ is bonded in a linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.66 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 2.05 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.43 Å) and two longer (2.49 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.58 Å) and two longer (2.01 Å) Sb–O bond length. In the third Sb5+ site, Sb5+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.72–2.54 Å. In the fourth Sb5+ site, Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.22 Å) and two longer (2.54 Å) Sb–O bond lengths. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and two Sb5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Sb5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Sb5+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Sb5+ atom.},
doi = {10.17188/1280720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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