Materials Data on Zn2BrN by Materials Project

doi:10.17188/1705227

Title: Materials Data on Zn2BrN by Materials Project

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Abstract

Zn2NBr crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 2-coordinate geometry to two equivalent N3- and two equivalent Br1- atoms. Both Zn–N bond lengths are 1.94 Å. There are one shorter (2.69 Å) and one longer (2.93 Å) Zn–Br bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent N3- and two equivalent Br1- atoms. Both Zn–N bond lengths are 1.90 Å. There are one shorter (2.93 Å) and one longer (3.07 Å) Zn–Br bond lengths. N3- is bonded to four Zn2+ atoms to form corner-sharing NZn4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1105648

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; Zn2BrN; Br-N-Zn

OSTI Identifier:: 1705227

DOI:: https://doi.org/10.17188/1705227

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                    The Materials Project. Materials Data on Zn2BrN by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1705227.

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                    The Materials Project. Materials Data on Zn2BrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1705227

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                    The Materials Project. 2018.  
"Materials Data on Zn2BrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1705227.  https://www.osti.gov/servlets/purl/1705227. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1705227,

  title        = {Materials Data on Zn2BrN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn2NBr crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 2-coordinate geometry to two equivalent N3- and two equivalent Br1- atoms. Both Zn–N bond lengths are 1.94 Å. There are one shorter (2.69 Å) and one longer (2.93 Å) Zn–Br bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent N3- and two equivalent Br1- atoms. Both Zn–N bond lengths are 1.90 Å. There are one shorter (2.93 Å) and one longer (3.07 Å) Zn–Br bond lengths. N3- is bonded to four Zn2+ atoms to form corner-sharing NZn4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four Zn2+ atoms.},

  doi          = {10.17188/1705227},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1705227

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