Materials Data on TeP2(N2O7)2 by Materials Project

doi:10.17188/1715132

Title: Materials Data on TeP2(N2O7)2 by Materials Project

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Abstract

P2Te(N2O7)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one P2Te(N2O7)2 cluster. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.34 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.74 Å) N–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.96–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-09-05

Other Number(s):: mp-1179130

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; TeP2(N2O7)2; N-O-P-Te

OSTI Identifier:: 1715132

DOI:: https://doi.org/10.17188/1715132

Citation Formats


                    The Materials Project. Materials Data on TeP2(N2O7)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1715132.

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                    The Materials Project. Materials Data on TeP2(N2O7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715132

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                    The Materials Project. 2019.  
"Materials Data on TeP2(N2O7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715132.  https://www.osti.gov/servlets/purl/1715132. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1715132,

  title        = {Materials Data on TeP2(N2O7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P2Te(N2O7)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one P2Te(N2O7)2 cluster. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.34 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.74 Å) N–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.96–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P5+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom.},

  doi          = {10.17188/1715132},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1715132

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