Materials Data on Tl2TeSO10 by Materials Project

doi:10.17188/1757793

Title: Materials Data on Tl2TeSO10 by Materials Project

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Abstract

Tl2TeSO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Tl–O bond distances ranging from 2.10–2.76 Å. In the second Tl site, Tl is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Tl–O bond distances ranging from 2.10–2.51 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to six O atoms. There is four shorter (1.95 Å) and two longer (2.02 Å) Te–O bond length. In the second Te site, Te is bonded in an octahedral geometry to six O atoms. There is two shorter (1.95 Å) and four longer (1.97 Å) Te–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Tl and one Te atom. In the second O site, O is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1179115

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; Tl2TeSO10; O-S-Te-Tl

OSTI Identifier:: 1757793

DOI:: https://doi.org/10.17188/1757793

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                    The Materials Project. Materials Data on Tl2TeSO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757793.

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                    The Materials Project. Materials Data on Tl2TeSO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757793

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                    The Materials Project. 2020.  
"Materials Data on Tl2TeSO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757793.  https://www.osti.gov/servlets/purl/1757793. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757793,

  title        = {Materials Data on Tl2TeSO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2TeSO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Tl–O bond distances ranging from 2.10–2.76 Å. In the second Tl site, Tl is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Tl–O bond distances ranging from 2.10–2.51 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to six O atoms. There is four shorter (1.95 Å) and two longer (2.02 Å) Te–O bond length. In the second Te site, Te is bonded in an octahedral geometry to six O atoms. There is two shorter (1.95 Å) and four longer (1.97 Å) Te–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Tl and one Te atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one Te atom. In the third O site, O is bonded in an L-shaped geometry to one Tl and one Te atom. In the fourth O site, O is bonded in a water-like geometry to one Tl and one Te atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Tl and one Te atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one S atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Tl and one Te atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a single-bond geometry to two equivalent Tl and one S atom.},

  doi          = {10.17188/1757793},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757793

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