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Title: Materials Data on Ag3BiO3 by Materials Project

Abstract

Ag3BiO3 crystallizes in the tetragonal I4_1 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.73 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) Ag–O bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. There are two inequivalent Bi3+more » sites. In the first Bi3+ site, Bi3+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.09–2.59 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag1+ and two Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form corner-sharing OAg2Bi2 tetrahedra. In the third O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form distorted corner-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ag1+ and two Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAg2Bi2 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Ag1+ and one Bi3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505145
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; Ag3BiO3; Ag-Bi-O
OSTI Identifier:
1262299
DOI:
10.17188/1262299

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag3BiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262299.
Persson, Kristin, & Project, Materials. Materials Data on Ag3BiO3 by Materials Project. United States. doi:10.17188/1262299.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag3BiO3 by Materials Project". United States. doi:10.17188/1262299. https://www.osti.gov/servlets/purl/1262299. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1262299,
title = {Materials Data on Ag3BiO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag3BiO3 crystallizes in the tetragonal I4_1 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.73 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) Ag–O bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.09–2.59 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag1+ and two Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form corner-sharing OAg2Bi2 tetrahedra. In the third O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form distorted corner-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ag1+ and two Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAg2Bi2 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Ag1+ and one Bi3+ atom.},
doi = {10.17188/1262299},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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