Materials Data on Te3(OF6)2 by Materials Project

doi:10.17188/1730116

Title: Materials Data on Te3(OF6)2 by Materials Project

Dataset
Other Related Research

Abstract

Te3(OF4)2(F2)2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen hydrogen fluoride hydrogen fluoride molecules and eight Te3(OF4)2 clusters. In each Te3(OF4)2 cluster, there are two inequivalent Te+5.33+ sites. In the first Te+5.33+ site, Te+5.33+ is bonded in a trigonal pyramidal geometry to one O2- and three F1- atoms. The Te–O bond length is 2.01 Å. There are a spread of Te–F bond distances ranging from 1.86–1.95 Å. In the second Te+5.33+ site, Te+5.33+ is bonded in a square co-planar geometry to two equivalent O2- and two equivalent F1- atoms. Both Te–O bond lengths are 2.00 Å. Both Te–F bond lengths are 1.98 Å. O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.33+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-1209223

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; F-O-Te; Te3(OF6)2; crystal structure

OSTI Identifier:: 1730116

DOI:: https://doi.org/10.17188/1730116

Citation Formats


                    Materials Data on Te3(OF6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730116.

Copy to clipboard


                    Materials Data on Te3(OF6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730116

Copy to clipboard


                    2020.  
"Materials Data on Te3(OF6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730116.  https://www.osti.gov/servlets/purl/1730116. Pub date:Thu Apr 30 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1730116,

  title        = {Materials Data on Te3(OF6)2 by Materials Project},

  
  abstractNote = {Te3(OF4)2(F2)2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen hydrogen fluoride hydrogen fluoride molecules and eight Te3(OF4)2 clusters. In each Te3(OF4)2 cluster, there are two inequivalent Te+5.33+ sites. In the first Te+5.33+ site, Te+5.33+ is bonded in a trigonal pyramidal geometry to one O2- and three F1- atoms. The Te–O bond length is 2.01 Å. There are a spread of Te–F bond distances ranging from 1.86–1.95 Å. In the second Te+5.33+ site, Te+5.33+ is bonded in a square co-planar geometry to two equivalent O2- and two equivalent F1- atoms. Both Te–O bond lengths are 2.00 Å. Both Te–F bond lengths are 1.98 Å. O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.33+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.33+ atom.},

  doi          = {10.17188/1730116},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1730116

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Te2As2SI6(OF6)2 by Materials Project

Dataset

As8Te7S4I23(O2F11)4TeF3IF1 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one iodine monofluoride molecule, one TeF3 cluster, and one As8Te7S4I23(O2F11)4 framework. In the TeF3 cluster, Te4+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Te–F bond distances ranging from 1.92–2.01 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the third F1- site, F1- ismore »« less
Materials Data on CdAs2C4SN4(OF6)2 by Materials Project

Dataset

CdC4AsN4S(OF3)2AsF6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AsF6 clusters and four CdC4AsN4S(OF3)2 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bondmore »« less
Materials Data on Te4As2S5(OF6)2 by Materials Project

Dataset

(AsTe2(SF3)2)2SO2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four sulfur dioxide molecules and one AsTe2(SF3)2 sheet oriented in the (1, 0, 0) direction. In the AsTe2(SF3)2 sheet, there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.80 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There is five shorter (1.78 Å) and one longer (1.79 Å) As–F bond length. There aremore »« less
Materials Data on Te3As2S(OF6)2 by Materials Project

Dataset

(Te)3AsTeF6AsTe2F6(AsF6)2(SO2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, six tellurium molecules, four AsF6 clusters, two AsTe2F6 clusters, and two AsTeF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the thirdmore »« less
Materials Data on Te4As2S(OF6)2 by Materials Project

Dataset

As2Te4S(OF6)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two As2Te4S(OF6)2 clusters. there are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.81 Å. In the second As1+ site, As1+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.80 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to twomore »« less

Similar Records