Materials Data on Sm2SiTeO4 by Materials Project

doi:10.17188/1192708

Title: Materials Data on Sm2SiTeO4 by Materials Project

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Abstract

Sm2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Sm–Te bond distances ranging from 3.17–3.39 Å. There are a spread of Sm–O bond distances ranging from 2.47–2.53 Å. In the second Sm3+ site, Sm3+ is bonded in a 5-coordinate geometry to one Te2- and seven O2- atoms. The Sm–Te bond length is 3.29 Å. There are a spread of Sm–O bond distances ranging from 2.32–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Sm3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.43–3.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+, one Si4+, and one Te2- atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-17812

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; Sm2SiTeO4; O-Si-Sm-Te

OSTI Identifier:: 1192708

DOI:: https://doi.org/10.17188/1192708

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                    The Materials Project. Materials Data on Sm2SiTeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192708.

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                    The Materials Project. Materials Data on Sm2SiTeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192708

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                    The Materials Project. 2020.  
"Materials Data on Sm2SiTeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192708.  https://www.osti.gov/servlets/purl/1192708. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1192708,

  title        = {Materials Data on Sm2SiTeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Sm–Te bond distances ranging from 3.17–3.39 Å. There are a spread of Sm–O bond distances ranging from 2.47–2.53 Å. In the second Sm3+ site, Sm3+ is bonded in a 5-coordinate geometry to one Te2- and seven O2- atoms. The Sm–Te bond length is 3.29 Å. There are a spread of Sm–O bond distances ranging from 2.32–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Sm3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.43–3.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+, one Si4+, and one Te2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+, one Si4+, and one Te2- atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one Si4+ atom.},

  doi          = {10.17188/1192708},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192708

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