Materials Data on LiAg(CO2)2 by Materials Project

doi:10.17188/1316697

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

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Abstract

LiAg(CO2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.07 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.30–2.80 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. Both C–O bond lengths are 1.27 Å. 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 3-coordinate geometry to one Li1+, one Ag1+, and one C3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ag1+, and one C3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+,more » two equivalent Ag1+, and one C3+ atom.« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-985572

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; LiAg(CO2)2; Ag-C-Li-O

OSTI Identifier:: 1316697

DOI:: https://doi.org/10.17188/1316697

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                    The Materials Project. Materials Data on LiAg(CO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316697.

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                    The Materials Project. Materials Data on LiAg(CO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316697

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                    The Materials Project. 2020.  
"Materials Data on LiAg(CO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316697.  https://www.osti.gov/servlets/purl/1316697. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1316697,

  title        = {Materials Data on LiAg(CO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAg(CO2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.07 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.30–2.80 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. Both C–O bond lengths are 1.27 Å. 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 3-coordinate geometry to one Li1+, one Ag1+, and one C3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ag1+, and one C3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Ag1+, and one C3+ atom.},

  doi          = {10.17188/1316697},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316697

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