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Title: Materials Data on NaAg(CO2)2 by Materials Project

Abstract

NaAg(CO2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.34–2.73 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.94 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. Both C–O bond lengths are 1.27 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ag1+, and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the fourth O2- site,more » O2- is bonded to two equivalent Na1+, one Ag1+, and one C3+ atom to form distorted corner-sharing ONa2AgC tetrahedra.« less

Publication Date:
Other Number(s):
mp-985594
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; NaAg(CO2)2; Ag-C-Na-O
OSTI Identifier:
1316733
DOI:
https://doi.org/10.17188/1316733

Citation Formats

The Materials Project. Materials Data on NaAg(CO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316733.
The Materials Project. Materials Data on NaAg(CO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1316733
The Materials Project. 2020. "Materials Data on NaAg(CO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1316733. https://www.osti.gov/servlets/purl/1316733. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316733,
title = {Materials Data on NaAg(CO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAg(CO2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.34–2.73 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.94 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. Both C–O bond lengths are 1.27 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ag1+, and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Na1+, one Ag1+, and one C3+ atom to form distorted corner-sharing ONa2AgC tetrahedra.},
doi = {10.17188/1316733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}