U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2CO3 by Materials Project
Abstract
Ag2CO3 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with two AgO5 trigonal bipyramids, corners with two equivalent AgO4 trigonal pyramids, and edges with two AgO5 trigonal bipyramids. There are two shorter (2.25 Å) and two longer (2.56 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent AgO5 trigonal bipyramids, and edges with two equivalent AgO4 trigonal pyramids. There are a spread of Ag–O bond distances ranging from 2.43–2.52 Å. In the third Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent AgO5 trigonal bipyramids, and edges with two equivalent AgO4 trigonal pyramids. There are a spread of Ag–O bond distances ranging from 2.43–2.52 Å. In the fourth Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that sharemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1178578
- 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; Ag2CO3; Ag-C-O
- OSTI Identifier:
- 1739024
- DOI:
- https://doi.org/10.17188/1739024
Citation Formats
The Materials Project. Materials Data on Ag2CO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739024.
The Materials Project. Materials Data on Ag2CO3 by Materials Project. United States. doi:https://doi.org/10.17188/1739024
The Materials Project. 2020.
"Materials Data on Ag2CO3 by Materials Project". United States. doi:https://doi.org/10.17188/1739024. https://www.osti.gov/servlets/purl/1739024. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1739024,
title = {Materials Data on Ag2CO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2CO3 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with two AgO5 trigonal bipyramids, corners with two equivalent AgO4 trigonal pyramids, and edges with two AgO5 trigonal bipyramids. There are two shorter (2.25 Å) and two longer (2.56 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent AgO5 trigonal bipyramids, and edges with two equivalent AgO4 trigonal pyramids. There are a spread of Ag–O bond distances ranging from 2.43–2.52 Å. In the third Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent AgO5 trigonal bipyramids, and edges with two equivalent AgO4 trigonal pyramids. There are a spread of Ag–O bond distances ranging from 2.43–2.52 Å. In the fourth Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent AgO5 trigonal bipyramids, and edges with two equivalent AgO4 trigonal pyramids. There are a spread of Ag–O bond distances ranging from 2.43–2.52 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one C4+ atom. The O–Ag bond length is 2.25 Å.},
doi = {10.17188/1739024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}