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Title: Materials Data on Ag7(PbO3)3 by Materials Project

Abstract

Ag7(PbO3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Ag+1.14+ sites. In the first Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the second Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the fourth Ag+1.14+ site, Ag+1.14+ is bonded in a trigonal planar geometry to three O2- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Ag–O bond lengths. In the fifth Ag+1.14+ site, Ag+1.14+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.31 Å) and two longer (2.32 Å) Ag–O bond lengths. In the sixth Ag+1.14+ site, Ag+1.14+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.27 Å) and two longer (2.35 Å) Ag–O bond lengths. There are two inequivalent Pb+3.33+more » sites. In the first Pb+3.33+ site, Pb+3.33+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.21–2.29 Å. In the second Pb+3.33+ site, Pb+3.33+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.26–2.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.14+ and two Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two Ag+1.14+ and two Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the third O2- site, O2- is bonded to two Ag+1.14+ and two equivalent Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ag+1.14+ and two equivalent Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the fifth O2- site, O2- is bonded to two Ag+1.14+ and two equivalent Pb+3.33+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.14+ and two equivalent Pb+3.33+ atoms.« less

Publication Date:
Other Number(s):
mp-757612
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; Ag7(PbO3)3; Ag-O-Pb
OSTI Identifier:
1290853
DOI:
10.17188/1290853

Citation Formats

The Materials Project. Materials Data on Ag7(PbO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290853.
The Materials Project. Materials Data on Ag7(PbO3)3 by Materials Project. United States. doi:10.17188/1290853.
The Materials Project. 2020. "Materials Data on Ag7(PbO3)3 by Materials Project". United States. doi:10.17188/1290853. https://www.osti.gov/servlets/purl/1290853. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290853,
title = {Materials Data on Ag7(PbO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag7(PbO3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Ag+1.14+ sites. In the first Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the second Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the fourth Ag+1.14+ site, Ag+1.14+ is bonded in a trigonal planar geometry to three O2- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Ag–O bond lengths. In the fifth Ag+1.14+ site, Ag+1.14+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.31 Å) and two longer (2.32 Å) Ag–O bond lengths. In the sixth Ag+1.14+ site, Ag+1.14+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.27 Å) and two longer (2.35 Å) Ag–O bond lengths. There are two inequivalent Pb+3.33+ sites. In the first Pb+3.33+ site, Pb+3.33+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.21–2.29 Å. In the second Pb+3.33+ site, Pb+3.33+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.26–2.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.14+ and two Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two Ag+1.14+ and two Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the third O2- site, O2- is bonded to two Ag+1.14+ and two equivalent Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ag+1.14+ and two equivalent Pb+3.33+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the fifth O2- site, O2- is bonded to two Ag+1.14+ and two equivalent Pb+3.33+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.14+ and two equivalent Pb+3.33+ atoms.},
doi = {10.17188/1290853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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