Materials Data on Ag5CF4 by Materials Project

doi:10.17188/1203997

Title: Materials Data on Ag5CF4 by Materials Project

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Abstract

Ag5CF4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are six inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a 5-coordinate geometry to one C2- and four F1- atoms. The Ag–C bond length is 2.15 Å. There are a spread of Ag–F bond distances ranging from 2.33–2.69 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.38–2.68 Å. In the third Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.17 Å. There are a spread of Ag–F bond distances ranging from 2.24–2.92 Å. In the fourth Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.16 Å. There are a spread of Ag–F bond distances ranging from 2.21–2.95 Å. In the fifth Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.38 Å) and two longer (2.52 Å) Ag–F bond lengths. In the sixth Ag+1.20+ site, Ag+1.20+ is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-29536

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; Ag5CF4; Ag-C-F

OSTI Identifier:: 1203997

DOI:: https://doi.org/10.17188/1203997

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                    The Materials Project. Materials Data on Ag5CF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203997.

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                    The Materials Project. Materials Data on Ag5CF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203997

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                    The Materials Project. 2020.  
"Materials Data on Ag5CF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203997.  https://www.osti.gov/servlets/purl/1203997. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1203997,

  title        = {Materials Data on Ag5CF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag5CF4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are six inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a 5-coordinate geometry to one C2- and four F1- atoms. The Ag–C bond length is 2.15 Å. There are a spread of Ag–F bond distances ranging from 2.33–2.69 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.38–2.68 Å. In the third Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.17 Å. There are a spread of Ag–F bond distances ranging from 2.24–2.92 Å. In the fourth Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.16 Å. There are a spread of Ag–F bond distances ranging from 2.21–2.95 Å. In the fifth Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.38 Å) and two longer (2.52 Å) Ag–F bond lengths. In the sixth Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.46–2.96 Å. C2- is bonded in a 4-coordinate geometry to three Ag+1.20+ and one C2- atom. The C–C bond length is 1.32 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the third F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to five Ag+1.20+ atoms.},

  doi          = {10.17188/1203997},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203997

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