Materials Data on Tm2Ge2O7 by Materials Project

doi:10.17188/1190844

Title: Materials Data on Tm2Ge2O7 by Materials Project

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Abstract

Tm2Ge2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Tm3+ is bonded to seven O2- atoms to form distorted TmO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent TmO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.21–2.53 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent TmO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one TmO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Tm3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ge4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-14708

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; Tm2Ge2O7; Ge-O-Tm

OSTI Identifier:: 1190844

DOI:: https://doi.org/10.17188/1190844

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                    The Materials Project. Materials Data on Tm2Ge2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190844.

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                    The Materials Project. Materials Data on Tm2Ge2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190844

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                    The Materials Project. 2020.  
"Materials Data on Tm2Ge2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190844.  https://www.osti.gov/servlets/purl/1190844. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1190844,

  title        = {Materials Data on Tm2Ge2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2Ge2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Tm3+ is bonded to seven O2- atoms to form distorted TmO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent TmO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.21–2.53 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent TmO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one TmO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Tm3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ge4+ atom.},

  doi          = {10.17188/1190844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1190844

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