Materials Data on Hg2BrN by Materials Project

doi:10.17188/1199448

Title: Materials Data on Hg2BrN by Materials Project

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Abstract

Hg2NBr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- and four Br1- atoms. Both Hg–N bond lengths are 2.11 Å. There are two shorter (3.39 Å) and two longer (3.48 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.08 Å. N3- is bonded to four Hg2+ atoms to form corner-sharing NHg4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a hexagonal planar geometry to six equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-23354

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; Hg2BrN; Br-Hg-N

OSTI Identifier:: 1199448

DOI:: https://doi.org/10.17188/1199448

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                    The Materials Project. Materials Data on Hg2BrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199448.

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                    The Materials Project. Materials Data on Hg2BrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1199448

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                    The Materials Project. 2020.  
"Materials Data on Hg2BrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1199448.  https://www.osti.gov/servlets/purl/1199448. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1199448,

  title        = {Materials Data on Hg2BrN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg2NBr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- and four Br1- atoms. Both Hg–N bond lengths are 2.11 Å. There are two shorter (3.39 Å) and two longer (3.48 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.08 Å. N3- is bonded to four Hg2+ atoms to form corner-sharing NHg4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a hexagonal planar geometry to six equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.},

  doi          = {10.17188/1199448},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199448

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