Materials Data on AgBi2F12 by Materials Project

doi:10.17188/1203025

Title: Materials Data on AgBi2F12 by Materials Project

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Abstract

AgBi2F12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AgBi2F12 sheet oriented in the (0, 0, 1) direction. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Ag–F bond distances ranging from 2.14–2.49 Å. Bi5+ is bonded to six F1- atoms to form BiF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Bi–F bond distances ranging from 2.01–2.16 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-28965

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; AgBi2F12; Ag-Bi-F

OSTI Identifier:: 1203025

DOI:: https://doi.org/10.17188/1203025

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                    The Materials Project. Materials Data on AgBi2F12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203025.

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                    The Materials Project. Materials Data on AgBi2F12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203025

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                    The Materials Project. 2020.  
"Materials Data on AgBi2F12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203025.  https://www.osti.gov/servlets/purl/1203025. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1203025,

  title        = {Materials Data on AgBi2F12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgBi2F12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AgBi2F12 sheet oriented in the (0, 0, 1) direction. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Ag–F bond distances ranging from 2.14–2.49 Å. Bi5+ is bonded to six F1- atoms to form BiF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Bi–F bond distances ranging from 2.01–2.16 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.},

  doi          = {10.17188/1203025},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203025

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