Materials Data on Pu2Te4Cl2O11 by Materials Project

doi:10.17188/1651622

Title: Materials Data on Pu2Te4Cl2O11 by Materials Project

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Abstract

Pu2Te4O11Cl2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Pu7+ sites. In the first Pu7+ site, Pu7+ is bonded to seven O2- atoms to form a mixture of corner and edge-sharing PuO7 pentagonal bipyramids. There are a spread of Pu–O bond distances ranging from 2.17–2.47 Å. In the second Pu7+ site, Pu7+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing PuO7 pentagonal bipyramids. There are a spread of Pu–O bond distances ranging from 2.13–2.45 Å. There are four inequivalent Te+2.50+ sites. In the first Te+2.50+ site, Te+2.50+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.13 Å. In the second Te+2.50+ site, Te+2.50+ is bonded in a 4-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.87–1.96 Å. The Te–Cl bond length is 2.79 Å. In the third Te+2.50+ site, Te+2.50+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.87–1.97 Å. The Te–Cl bond length is 2.96more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1197627

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; Pu2Te4Cl2O11; Cl-O-Pu-Te

OSTI Identifier:: 1651622

DOI:: https://doi.org/10.17188/1651622

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                    The Materials Project. Materials Data on Pu2Te4Cl2O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651622.

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                    The Materials Project. Materials Data on Pu2Te4Cl2O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651622

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                    The Materials Project. 2020.  
"Materials Data on Pu2Te4Cl2O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651622.  https://www.osti.gov/servlets/purl/1651622. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1651622,

  title        = {Materials Data on Pu2Te4Cl2O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu2Te4O11Cl2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Pu7+ sites. In the first Pu7+ site, Pu7+ is bonded to seven O2- atoms to form a mixture of corner and edge-sharing PuO7 pentagonal bipyramids. There are a spread of Pu–O bond distances ranging from 2.17–2.47 Å. In the second Pu7+ site, Pu7+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing PuO7 pentagonal bipyramids. There are a spread of Pu–O bond distances ranging from 2.13–2.45 Å. There are four inequivalent Te+2.50+ sites. In the first Te+2.50+ site, Te+2.50+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.13 Å. In the second Te+2.50+ site, Te+2.50+ is bonded in a 4-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.87–1.96 Å. The Te–Cl bond length is 2.79 Å. In the third Te+2.50+ site, Te+2.50+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.87–1.97 Å. The Te–Cl bond length is 2.96 Å. In the fourth Te+2.50+ site, Te+2.50+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There is two shorter (1.89 Å) and one longer (1.91 Å) Te–O bond length. The Te–Cl bond length is 3.15 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pu7+ and one Te+2.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu7+ and one Te+2.50+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu7+ and one Te+2.50+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Pu7+ and one Te+2.50+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Pu7+ and one Te+2.50+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Pu7+ and one Te+2.50+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Pu7+ and one Te+2.50+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Pu7+ and two Te+2.50+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to one Pu7+ and one Te+2.50+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Pu7+ and two Te+2.50+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pu7+ and one Te+2.50+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Te+2.50+ atoms.},

  doi          = {10.17188/1651622},

  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/10.17188/1651622

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