Materials Data on Pr2Be2GeO7 by Materials Project

doi:10.17188/1190664

Title: Materials Data on Pr2Be2GeO7 by Materials Project

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Abstract

Be2Pr2GeO7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.74 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.68 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Ge–O bond lengths are 1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Pr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Be2+ and two equivalent Pr3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Be2+ and three equivalent Pr3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-14415

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; Pr2Be2GeO7; Be-Ge-O-Pr

OSTI Identifier:: 1190664

DOI:: https://doi.org/10.17188/1190664

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                    The Materials Project. Materials Data on Pr2Be2GeO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190664.

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                    The Materials Project. Materials Data on Pr2Be2GeO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190664

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                    The Materials Project. 2020.  
"Materials Data on Pr2Be2GeO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190664.  https://www.osti.gov/servlets/purl/1190664. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1190664,

  title        = {Materials Data on Pr2Be2GeO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be2Pr2GeO7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.74 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.68 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Ge–O bond lengths are 1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Pr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Be2+ and two equivalent Pr3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Be2+ and three equivalent Pr3+ atoms.},

  doi          = {10.17188/1190664},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190664

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