Materials Data on Sm3Sb5O12 by Materials Project

doi:10.17188/1205736

Title: Materials Data on Sm3Sb5O12 by Materials Project

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Abstract

Sm3Sb5O12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.67 Å) Sm–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.24 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-3154

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; Sm3Sb5O12; O-Sb-Sm

OSTI Identifier:: 1205736

DOI:: https://doi.org/10.17188/1205736

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                    The Materials Project. Materials Data on Sm3Sb5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205736.

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                    The Materials Project. Materials Data on Sm3Sb5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205736

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                    The Materials Project. 2020.  
"Materials Data on Sm3Sb5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205736.  https://www.osti.gov/servlets/purl/1205736. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1205736,

  title        = {Materials Data on Sm3Sb5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm3Sb5O12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.67 Å) Sm–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.24 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Sb3+ atom.},

  doi          = {10.17188/1205736},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205736

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