DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ag2BiO3 by Materials Project

Abstract

Ag2BiO3 crystallizes in the orthorhombic Pnn2 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 a spread of Ag–O bond distances ranging from 2.24–2.31 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, 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 36°. There are a spread of Bi–O bond distances ranging from 2.16–2.24 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Bi–O bond distances ranging from 2.33–2.36 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two Bi3+ atoms. In the second O2- site, O2- is bondedmore » to two Ag+1.50+ and two Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the third O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-23558
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag2BiO3; Ag-Bi-O
OSTI Identifier:
1199591
DOI:
https://doi.org/10.17188/1199591

Citation Formats

The Materials Project. Materials Data on Ag2BiO3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1199591.
The Materials Project. Materials Data on Ag2BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199591
The Materials Project. 2017. "Materials Data on Ag2BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199591. https://www.osti.gov/servlets/purl/1199591. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1199591,
title = {Materials Data on Ag2BiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2BiO3 crystallizes in the orthorhombic Pnn2 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 a spread of Ag–O bond distances ranging from 2.24–2.31 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, 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 36°. There are a spread of Bi–O bond distances ranging from 2.16–2.24 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Bi–O bond distances ranging from 2.33–2.36 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two Bi3+ atoms. In the second O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the third O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra.},
doi = {10.17188/1199591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}