Materials Data on HfBrN by Materials Project

doi:10.17188/1274380

Title: Materials Data on HfBrN by Materials Project

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Abstract

HfNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one HfNBr sheet oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent Br1- atoms. There are two shorter (2.13 Å) and two longer (2.14 Å) Hf–N bond lengths. Both Hf–Br bond lengths are 2.75 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing NHf4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Hf4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-568346

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; HfBrN; Br-Hf-N

OSTI Identifier:: 1274380

DOI:: https://doi.org/10.17188/1274380

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                    The Materials Project. Materials Data on HfBrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274380.

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                    The Materials Project. Materials Data on HfBrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1274380

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                    The Materials Project. 2020.  
"Materials Data on HfBrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1274380.  https://www.osti.gov/servlets/purl/1274380. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1274380,

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

  author       = {The Materials Project},

  abstractNote = {HfNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one HfNBr sheet oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent Br1- atoms. There are two shorter (2.13 Å) and two longer (2.14 Å) Hf–N bond lengths. Both Hf–Br bond lengths are 2.75 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing NHf4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Hf4+ atoms.},

  doi          = {10.17188/1274380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274380

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