Materials Data on Ag2BiO3 by Materials Project
Abstract
Ag2BiO3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the second 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 2.25–2.33 Å. In the third 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 2.22–2.34 Å. In the fourth Ag+1.50+ site, Ag+1.50+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.92 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Bi–O bond distances ranging from 2.32–2.39 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture ofmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-561113
- 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:
- 1271820
- DOI:
- https://doi.org/10.17188/1271820
Citation Formats
The Materials Project. Materials Data on Ag2BiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271820.
The Materials Project. Materials Data on Ag2BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1271820
The Materials Project. 2020.
"Materials Data on Ag2BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1271820. https://www.osti.gov/servlets/purl/1271820. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1271820,
title = {Materials Data on Ag2BiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2BiO3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the second 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 2.25–2.33 Å. In the third 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 2.22–2.34 Å. In the fourth Ag+1.50+ site, Ag+1.50+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.92 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Bi–O bond distances ranging from 2.32–2.39 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Bi–O bond distances ranging from 2.16–2.25 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two 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 corner and edge-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 corner and edge-sharing OAg2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag+1.50+ and two Bi3+ atoms. In the fifth O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra. In the sixth O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of corner and edge-sharing OAg2Bi2 tetrahedra.},
doi = {10.17188/1271820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}