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Title: Materials Data on Ag9(BiO3)2 by Materials Project

Abstract

Ag9(BiO3)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.44 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. In the fifth Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.49 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.10 Å. In the seventh Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.53 Å. In the eighth Ag1+ site, Ag1+ is bonded inmore » a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.34 Å. Bi+1.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Bi–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+1.50+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Bi+1.50+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+1.50+ atom.« less

Publication Date:
Other Number(s):
mp-651048
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; Ag9(BiO3)2; Ag-Bi-O
OSTI Identifier:
1281034
DOI:
10.17188/1281034

Citation Formats

The Materials Project. Materials Data on Ag9(BiO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281034.
The Materials Project. Materials Data on Ag9(BiO3)2 by Materials Project. United States. doi:10.17188/1281034.
The Materials Project. 2020. "Materials Data on Ag9(BiO3)2 by Materials Project". United States. doi:10.17188/1281034. https://www.osti.gov/servlets/purl/1281034. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281034,
title = {Materials Data on Ag9(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag9(BiO3)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.44 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. In the fifth Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.49 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.10 Å. In the seventh Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.53 Å. In the eighth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.34 Å. Bi+1.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Bi–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+1.50+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Bi+1.50+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+1.50+ atom.},
doi = {10.17188/1281034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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