Materials Data on Lu2GeO5 by Materials Project

doi:10.17188/1298531

Title: Materials Data on Lu2GeO5 by Materials Project

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Abstract

Lu2GeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven O2- atoms to form distorted LuO7 hexagonal pyramids that share corners with two equivalent LuO7 hexagonal pyramids, corners with three equivalent GeO5 trigonal bipyramids, edges with five LuO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.23–2.35 Å. In the second Lu3+ site, Lu3+ is bonded to seven O2- atoms to form distorted LuO7 hexagonal pyramids that share corners with two equivalent LuO7 hexagonal pyramids, a cornercorner with one GeO5 trigonal bipyramid, edges with seven LuO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.27–2.32 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 trigonal bipyramids that share corners with four LuO7 hexagonal pyramids, corners with two equivalent GeO5 trigonal bipyramids, and edges with four LuO7 hexagonal pyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.92 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-768865

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; Lu2GeO5; Ge-Lu-O

OSTI Identifier:: 1298531

DOI:: https://doi.org/10.17188/1298531

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                    The Materials Project. Materials Data on Lu2GeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298531.

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                    The Materials Project. Materials Data on Lu2GeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298531

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                    The Materials Project. 2020.  
"Materials Data on Lu2GeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298531.  https://www.osti.gov/servlets/purl/1298531. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1298531,

  title        = {Materials Data on Lu2GeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu2GeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven O2- atoms to form distorted LuO7 hexagonal pyramids that share corners with two equivalent LuO7 hexagonal pyramids, corners with three equivalent GeO5 trigonal bipyramids, edges with five LuO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.23–2.35 Å. In the second Lu3+ site, Lu3+ is bonded to seven O2- atoms to form distorted LuO7 hexagonal pyramids that share corners with two equivalent LuO7 hexagonal pyramids, a cornercorner with one GeO5 trigonal bipyramid, edges with seven LuO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.27–2.32 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 trigonal bipyramids that share corners with four LuO7 hexagonal pyramids, corners with two equivalent GeO5 trigonal bipyramids, and edges with four LuO7 hexagonal pyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.92 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Lu3+ atoms to form OLu4 tetrahedra that share corners with fourteen OLu4 tetrahedra and edges with four OLu3Ge tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two Lu3+ and two equivalent Ge4+ atoms to form distorted OLu2Ge2 tetrahedra that share corners with six OLu4 tetrahedra and edges with five OLu3Ge tetrahedra. In the fourth O2- site, O2- is bonded to three Lu3+ and one Ge4+ atom to form OLu3Ge tetrahedra that share corners with nine OLu4 tetrahedra and edges with four OLu3Ge tetrahedra. In the fifth O2- site, O2- is bonded to three Lu3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OLu3Ge tetrahedra.},

  doi          = {10.17188/1298531},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298531

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