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Title: Materials Data on AgBiO3 by Materials Project

Abstract

AgBiO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.96 Å) Ag–O bond lengths. Bi5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (2.25 Å) and two longer (2.33 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded to two equivalent Ag1+ and two equivalent Bi5+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bondedmore » to two equivalent Ag1+ and two equivalent Bi5+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-775774
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; AgBiO3; Ag-Bi-O
OSTI Identifier:
1303589
DOI:
https://doi.org/10.17188/1303589

Citation Formats

The Materials Project. Materials Data on AgBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1303589.
The Materials Project. Materials Data on AgBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1303589
The Materials Project. 2020. "Materials Data on AgBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1303589. https://www.osti.gov/servlets/purl/1303589. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1303589,
title = {Materials Data on AgBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgBiO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.96 Å) Ag–O bond lengths. Bi5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (2.25 Å) and two longer (2.33 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded to two equivalent Ag1+ and two equivalent Bi5+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Ag1+ and two equivalent Bi5+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra.},
doi = {10.17188/1303589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}