Materials Data on Sm2Ta2O9 by Materials Project

doi:10.17188/1758380

Title: Materials Data on Sm2Ta2O9 by Materials Project

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Abstract

Sm2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.60 Å. Ta is bonded to six O atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are a spread of Ta–O bond distances ranging from 1.90–2.20 Å. There are five inequivalent O sites. In the first O site, O is bonded to two equivalent Sm and two equivalent Ta atoms to form a mixture of distorted corner and edge-sharing OSm2Ta2 trigonal pyramids. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Sm atoms. In the third O site, O is bonded in a linear geometry to two equivalent Ta atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Sm and two equivalent Ta atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to three equivalent Sm and one Ta atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1208912

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; Sm2Ta2O9; O-Sm-Ta

OSTI Identifier:: 1758380

DOI:: https://doi.org/10.17188/1758380

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                    The Materials Project. Materials Data on Sm2Ta2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758380.

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                    The Materials Project. Materials Data on Sm2Ta2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758380

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                    The Materials Project. 2020.  
"Materials Data on Sm2Ta2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758380.  https://www.osti.gov/servlets/purl/1758380. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758380,

  title        = {Materials Data on Sm2Ta2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.60 Å. Ta is bonded to six O atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are a spread of Ta–O bond distances ranging from 1.90–2.20 Å. There are five inequivalent O sites. In the first O site, O is bonded to two equivalent Sm and two equivalent Ta atoms to form a mixture of distorted corner and edge-sharing OSm2Ta2 trigonal pyramids. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Sm atoms. In the third O site, O is bonded in a linear geometry to two equivalent Ta atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Sm and two equivalent Ta atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to three equivalent Sm and one Ta atom.},

  doi          = {10.17188/1758380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758380

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