Materials Data on NaAg(CO2)2 by Materials Project
Abstract
NaAg(CO2)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 65–82°. There are a spread of Na–O bond distances ranging from 2.32–2.80 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.79 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one C3+ atom to form distorted corner-sharing ONa3C tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one C3+ atom. In the third O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-985593
- 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; NaAg(CO2)2; Ag-C-Na-O
- OSTI Identifier:
- 1316732
- DOI:
- https://doi.org/10.17188/1316732
Citation Formats
The Materials Project. Materials Data on NaAg(CO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316732.
The Materials Project. Materials Data on NaAg(CO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1316732
The Materials Project. 2020.
"Materials Data on NaAg(CO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1316732. https://www.osti.gov/servlets/purl/1316732. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316732,
title = {Materials Data on NaAg(CO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAg(CO2)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 65–82°. There are a spread of Na–O bond distances ranging from 2.32–2.80 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.79 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one C3+ atom to form distorted corner-sharing ONa3C tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ag1+, and one C3+ atom.},
doi = {10.17188/1316732},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}