Materials Data on Nd3VGeO9 by Materials Project

doi:10.17188/1672918

Title: Materials Data on Nd3VGeO9 by Materials Project

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Abstract

Nd3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.67 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.81 Å. In the third Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one NdO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.34–2.61 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one NdO7 pentagonal bipyramid and an edgeedge with one NdO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NdO7 pentagonal bipyramids. There are a spread of Ge–O bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1210369

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; Nd3VGeO9; Ge-Nd-O-V

OSTI Identifier:: 1672918

DOI:: https://doi.org/10.17188/1672918

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                    The Materials Project. Materials Data on Nd3VGeO9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672918.

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                    The Materials Project. Materials Data on Nd3VGeO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672918

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                    The Materials Project. 2019.  
"Materials Data on Nd3VGeO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672918.  https://www.osti.gov/servlets/purl/1672918. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1672918,

  title        = {Materials Data on Nd3VGeO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.67 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.81 Å. In the third Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one NdO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.34–2.61 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one NdO7 pentagonal bipyramid and an edgeedge with one NdO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NdO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one V5+ atom. In the third O2- site, O2- is bonded to four Nd3+ atoms to form edge-sharing ONd4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one V5+ atom.},

  doi          = {10.17188/1672918},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1672918

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