Materials Data on Sr(ScTe2)2 by Materials Project

doi:10.17188/1193321

Title: Materials Data on Sr(ScTe2)2 by Materials Project

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Abstract

SrSc2Te4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Sr–Te bond distances ranging from 3.41–3.65 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Sc–Te bond distances ranging from 2.92–2.99 Å. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Sc–Te bond distances ranging from 2.91–3.01 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three equivalent Sc3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Sc3+ atoms. In the third Te2- site, Te2- is bonded to two equivalent Sr2+ and three equivalent Sc3+ atoms to form a mixture of distorted corner and edge-sharing TeSr2Sc3 squaremore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-18660

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; Sr(ScTe2)2; Sc-Sr-Te

OSTI Identifier:: 1193321

DOI:: https://doi.org/10.17188/1193321

Citation Formats


                    The Materials Project. Materials Data on Sr(ScTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193321.

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                    The Materials Project. Materials Data on Sr(ScTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193321

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                    The Materials Project. 2020.  
"Materials Data on Sr(ScTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193321.  https://www.osti.gov/servlets/purl/1193321. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1193321,

  title        = {Materials Data on Sr(ScTe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrSc2Te4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Sr–Te bond distances ranging from 3.41–3.65 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Sc–Te bond distances ranging from 2.92–2.99 Å. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Sc–Te bond distances ranging from 2.91–3.01 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three equivalent Sc3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Sc3+ atoms. In the third Te2- site, Te2- is bonded to two equivalent Sr2+ and three equivalent Sc3+ atoms to form a mixture of distorted corner and edge-sharing TeSr2Sc3 square pyramids. In the fourth Te2- site, Te2- is bonded to two equivalent Sr2+ and three Sc3+ atoms to form a mixture of distorted corner and edge-sharing TeSr2Sc3 trigonal bipyramids.},

  doi          = {10.17188/1193321},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193321

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