Materials Data on Pr3VGeO9 by Materials Project

doi:10.17188/1721933

Title: Materials Data on Pr3VGeO9 by Materials Project

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Abstract

Pr3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.68 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.85 Å. In the third Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one PrO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Pr–O bond distances ranging from 2.36–2.65 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one PrO7 pentagonal bipyramid and an edgeedge with one PrO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.75 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent PrO7 pentagonal bipyramids. There are a spread of Ge–O bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1209985

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; Pr3VGeO9; Ge-O-Pr-V

OSTI Identifier:: 1721933

DOI:: https://doi.org/10.17188/1721933

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                    The Materials Project. Materials Data on Pr3VGeO9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1721933.

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                    The Materials Project. Materials Data on Pr3VGeO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721933

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                    The Materials Project. 2019.  
"Materials Data on Pr3VGeO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721933.  https://www.osti.gov/servlets/purl/1721933. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1721933,

  title        = {Materials Data on Pr3VGeO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.68 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.85 Å. In the third Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one PrO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Pr–O bond distances ranging from 2.36–2.65 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one PrO7 pentagonal bipyramid and an edgeedge with one PrO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.75 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent PrO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one V5+ atom. In the third O2- site, O2- is bonded to four Pr3+ atoms to form edge-sharing OPr4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one V5+ atom.},

  doi          = {10.17188/1721933},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1721933

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