Materials Data on Te3SeO8 by Materials Project

doi:10.17188/1203684

Title: Materials Data on Te3SeO8 by Materials Project

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Abstract

Te3SeO8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Te3SeO8 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.50 Å. In the second Te6+ site, Te6+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. In the third Te6+ site, Te6+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.27 Å. Se2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Te6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-29320

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; Te3SeO8; O-Se-Te

OSTI Identifier:: 1203684

DOI:: https://doi.org/10.17188/1203684

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                    The Materials Project. Materials Data on Te3SeO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203684.

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                    The Materials Project. Materials Data on Te3SeO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203684

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                    The Materials Project. 2020.  
"Materials Data on Te3SeO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203684.  https://www.osti.gov/servlets/purl/1203684. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203684,

  title        = {Materials Data on Te3SeO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Te3SeO8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Te3SeO8 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.50 Å. In the second Te6+ site, Te6+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. In the third Te6+ site, Te6+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.27 Å. Se2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Te6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Te6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Te6+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom.},

  doi          = {10.17188/1203684},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203684

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