Materials Data on YTcN3 by Materials Project

doi:10.17188/1316856

Title: Materials Data on YTcN3 by Materials Project

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Abstract

YTcN3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. Tc6+ is bonded to six N3- atoms to form distorted corner-sharing TcN6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Tc–N bond distances ranging from 2.04–2.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Tc6+, and one N3- atom. The N–N bond length is 1.33 Å. In the second N3- site, N3- is bonded to three equivalent Y3+ and two equivalent Tc6+ atoms to form corner-sharing NY3Tc2 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-989557

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; YTcN3; N-Tc-Y

OSTI Identifier:: 1316856

DOI:: https://doi.org/10.17188/1316856

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                    The Materials Project. Materials Data on YTcN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316856.

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                    The Materials Project. Materials Data on YTcN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316856

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                    The Materials Project. 2020.  
"Materials Data on YTcN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316856.  https://www.osti.gov/servlets/purl/1316856. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1316856,

  title        = {Materials Data on YTcN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YTcN3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. Tc6+ is bonded to six N3- atoms to form distorted corner-sharing TcN6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Tc–N bond distances ranging from 2.04–2.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Tc6+, and one N3- atom. The N–N bond length is 1.33 Å. In the second N3- site, N3- is bonded to three equivalent Y3+ and two equivalent Tc6+ atoms to form corner-sharing NY3Tc2 trigonal bipyramids.},

  doi          = {10.17188/1316856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316856

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