Materials Data on HgSb2F13 by Materials Project

doi:10.17188/1711557

Title: Materials Data on HgSb2F13 by Materials Project

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Abstract

HgSb2F13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Hg–F bond distances ranging from 2.40–2.50 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.96 Å. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.88–1.96 Å. There are thirteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Hg atom. In the fifth F site, F is bonded in a bent 120 degrees geometry to one Hg and one Sb atom. In the sixth F site, F ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1199212

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; HgSb2F13; F-Hg-Sb

OSTI Identifier:: 1711557

DOI:: https://doi.org/10.17188/1711557

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                    The Materials Project. Materials Data on HgSb2F13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711557.

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                    The Materials Project. Materials Data on HgSb2F13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711557

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                    The Materials Project. 2020.  
"Materials Data on HgSb2F13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711557.  https://www.osti.gov/servlets/purl/1711557. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1711557,

  title        = {Materials Data on HgSb2F13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgSb2F13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Hg–F bond distances ranging from 2.40–2.50 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.96 Å. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.88–1.96 Å. There are thirteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Hg atom. In the fifth F site, F is bonded in a bent 120 degrees geometry to one Hg and one Sb atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the seventh F site, F is bonded in a distorted bent 120 degrees geometry to one Hg and one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom.},

  doi          = {10.17188/1711557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1711557

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