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Title: Materials Data on Ag2BiO3 by Materials Project

Abstract

Ag2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.31 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Bi3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Bi–O bond distances ranging from 2.23–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.50+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two equivalent Bi3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558712
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; Ag2BiO3; Ag-Bi-O
OSTI Identifier:
1270463
DOI:
10.17188/1270463

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag2BiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270463.
Persson, Kristin, & Project, Materials. Materials Data on Ag2BiO3 by Materials Project. United States. doi:10.17188/1270463.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag2BiO3 by Materials Project". United States. doi:10.17188/1270463. https://www.osti.gov/servlets/purl/1270463. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1270463,
title = {Materials Data on Ag2BiO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.31 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Bi3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Bi–O bond distances ranging from 2.23–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.50+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1270463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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