Materials Data on Tm2Sb2O7 by Materials Project

doi:10.17188/1289156

Title: Materials Data on Tm2Sb2O7 by Materials Project

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Abstract

Tm2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Tm–O bond distances ranging from 2.25–2.33 Å. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.44 Å. There are two inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Sb–O bond distances ranging from 2.18–2.61 Å. In the second Sb4+ site, Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent TmO6 octahedra and corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 1–66°. Theremore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-753830

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; Tm2Sb2O7; O-Sb-Tm

OSTI Identifier:: 1289156

DOI:: https://doi.org/10.17188/1289156

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                    The Materials Project. Materials Data on Tm2Sb2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289156.

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                    The Materials Project. Materials Data on Tm2Sb2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289156

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                    The Materials Project. 2020.  
"Materials Data on Tm2Sb2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289156.  https://www.osti.gov/servlets/purl/1289156. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1289156,

  title        = {Materials Data on Tm2Sb2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Tm–O bond distances ranging from 2.25–2.33 Å. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.44 Å. There are two inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–67°. There are a spread of Sb–O bond distances ranging from 2.18–2.61 Å. In the second Sb4+ site, Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent TmO6 octahedra and corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 1–66°. There are a spread of Sb–O bond distances ranging from 1.92–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Tm3+ and two Sb4+ atoms. In the second O2- site, O2- is bonded to three Tm3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OTm3Sb tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Tm3+ and two Sb4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Sb4+ atoms.},

  doi          = {10.17188/1289156},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289156

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