Materials Data on La2GeO5 by Materials Project

doi:10.17188/1279775

Title: Materials Data on La2GeO5 by Materials Project

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Abstract

La2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.94 Å. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 hexagonal pyramids that share corners with two equivalent GeO4 tetrahedra, edges with six equivalent LaO7 hexagonal pyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.43–2.65 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent LaO7 hexagonal pyramids and an edgeedge with one LaO7 hexagonal pyramid. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to four La3+ atoms to form a mixturemore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-638261

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; La2GeO5; Ge-La-O

OSTI Identifier:: 1279775

DOI:: https://doi.org/10.17188/1279775

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                    The Materials Project. Materials Data on La2GeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279775.

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                    The Materials Project. Materials Data on La2GeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279775

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                    The Materials Project. 2020.  
"Materials Data on La2GeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279775.  https://www.osti.gov/servlets/purl/1279775. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1279775,

  title        = {Materials Data on La2GeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.94 Å. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 hexagonal pyramids that share corners with two equivalent GeO4 tetrahedra, edges with six equivalent LaO7 hexagonal pyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.43–2.65 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent LaO7 hexagonal pyramids and an edgeedge with one LaO7 hexagonal pyramid. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom.},

  doi          = {10.17188/1279775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279775

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