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Title: Materials Data on Ag2P2PbO7 by Materials Project

Abstract

Ag2PbP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.67 Å) and one longer (2.42 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.91 Å. Pb2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.12–3.02 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.17–2.29 Å. In the second P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.26–2.04 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ag1+, one Pb2+, and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometrymore » to two equivalent Ag1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+, one Pb2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+, one Pb2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+, one Pb2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Pb2+, and two P5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pb2+ and one P5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557644
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; Ag2P2PbO7; Ag-O-P-Pb
OSTI Identifier:
1269936
DOI:
10.17188/1269936

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag2P2PbO7 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269936.
Persson, Kristin, & Project, Materials. Materials Data on Ag2P2PbO7 by Materials Project. United States. doi:10.17188/1269936.
Persson, Kristin, and Project, Materials. 2014. "Materials Data on Ag2P2PbO7 by Materials Project". United States. doi:10.17188/1269936. https://www.osti.gov/servlets/purl/1269936. Pub date:Fri Feb 21 00:00:00 EST 2014
@article{osti_1269936,
title = {Materials Data on Ag2P2PbO7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag2PbP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.67 Å) and one longer (2.42 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.91 Å. Pb2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.12–3.02 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.17–2.29 Å. In the second P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.26–2.04 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ag1+, one Pb2+, and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Ag1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+, one Pb2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+, one Pb2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+, one Pb2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Pb2+, and two P5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pb2+ and one P5+ atom.},
doi = {10.17188/1269936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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