Materials Data on TlNO3 by Materials Project

doi:10.17188/1277176

Title: Materials Data on TlNO3 by Materials Project

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Abstract

TlNO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.30 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-5915

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; TlNO3; N-O-Tl

OSTI Identifier:: 1277176

DOI:: https://doi.org/10.17188/1277176

Citation Formats


                    The Materials Project. Materials Data on TlNO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277176.

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                    The Materials Project. Materials Data on TlNO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277176

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                    The Materials Project. 2020.  
"Materials Data on TlNO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277176.  https://www.osti.gov/servlets/purl/1277176. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1277176,

  title        = {Materials Data on TlNO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlNO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.30 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one N5+ atom.},

  doi          = {10.17188/1277176},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277176

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