Materials Data on SmTaO4 by Materials Project

doi:10.17188/1299652

Title: Materials Data on SmTaO4 by Materials Project

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Abstract

SmTaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.86 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Sm3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra.

Authors:: The Materials Project

Publication Date:: 2017-05-11

Other Number(s):: mp-770284

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; SmTaO4; O-Sm-Ta

OSTI Identifier:: 1299652

DOI:: https://doi.org/10.17188/1299652

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                    The Materials Project. Materials Data on SmTaO4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1299652.

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                    The Materials Project. Materials Data on SmTaO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299652

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                    The Materials Project. 2017.  
"Materials Data on SmTaO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299652.  https://www.osti.gov/servlets/purl/1299652. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1299652,

  title        = {Materials Data on SmTaO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmTaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.86 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Sm3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra.},

  doi          = {10.17188/1299652},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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