Materials Data on Yb2Mn(GeO3)4 by Materials Project

doi:10.17188/1719653

Title: Materials Data on Yb2Mn(GeO3)4 by Materials Project

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Abstract

Yb2Mn(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.28 Å) and two longer (2.41 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.42 Å) Yb–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (1.96 Å) and two longer (2.44 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent YbO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+ and two equivalent Ge4+ atoms. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1216304

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; Yb2Mn(GeO3)4; Ge-Mn-O-Yb

OSTI Identifier:: 1719653

DOI:: https://doi.org/10.17188/1719653

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                    The Materials Project. Materials Data on Yb2Mn(GeO3)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1719653.

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                    The Materials Project. Materials Data on Yb2Mn(GeO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719653

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                    The Materials Project. 2019.  
"Materials Data on Yb2Mn(GeO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719653.  https://www.osti.gov/servlets/purl/1719653. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1719653,

  title        = {Materials Data on Yb2Mn(GeO3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb2Mn(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.28 Å) and two longer (2.41 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.42 Å) Yb–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (1.96 Å) and two longer (2.44 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent YbO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Yb3+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+, one Mn2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Ge4+ atom.},

  doi          = {10.17188/1719653},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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