Materials Data on LaGeBO5 by Materials Project

doi:10.17188/1195141

Title: Materials Data on LaGeBO5 by Materials Project

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Abstract

LaBGeO5 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.76 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent BO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent La3+, one B3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent La3+, onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-19957

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; LaGeBO5; B-Ge-La-O

OSTI Identifier:: 1195141

DOI:: https://doi.org/10.17188/1195141

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                    The Materials Project. Materials Data on LaGeBO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195141.

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                    The Materials Project. Materials Data on LaGeBO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195141

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                    The Materials Project. 2020.  
"Materials Data on LaGeBO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195141.  https://www.osti.gov/servlets/purl/1195141. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1195141,

  title        = {Materials Data on LaGeBO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaBGeO5 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.76 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent BO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent La3+, one B3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent La3+, one B3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom.},

  doi          = {10.17188/1195141},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195141

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