Materials Data on SrTm2O4 by Materials Project

doi:10.17188/1206829

Title: Materials Data on SrTm2O4 by Materials Project

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Abstract

SrTm2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.86 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Tm–O bond distances ranging from 2.20–2.33 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Tm–O bond distances ranging from 2.23–2.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Tm3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Tm3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tm3+ atoms to form amore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-3446

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; SrTm2O4; O-Sr-Tm

OSTI Identifier:: 1206829

DOI:: https://doi.org/10.17188/1206829

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                    The Materials Project. Materials Data on SrTm2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206829.

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                    The Materials Project. Materials Data on SrTm2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206829

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                    The Materials Project. 2020.  
"Materials Data on SrTm2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206829.  https://www.osti.gov/servlets/purl/1206829. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1206829,

  title        = {Materials Data on SrTm2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrTm2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.86 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Tm–O bond distances ranging from 2.20–2.33 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Tm–O bond distances ranging from 2.23–2.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Tm3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Tm3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OSr2Tm3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Tm3+ atoms.},

  doi          = {10.17188/1206829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206829

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