Materials Data on Gd5B3O13 by Materials Project

doi:10.17188/1663025

Title: Materials Data on Gd5B3O13 by Materials Project

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Abstract

Gd5B3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.22–2.57 Å. In the second Gd site, Gd is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.38 Å) and three longer (2.67 Å) Gd–O bond lengths. B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Gd and one B atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Gd atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1212669

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; Gd5B3O13; B-Gd-O

OSTI Identifier:: 1663025

DOI:: https://doi.org/10.17188/1663025

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                    The Materials Project. Materials Data on Gd5B3O13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663025.

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                    The Materials Project. Materials Data on Gd5B3O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663025

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                    The Materials Project. 2020.  
"Materials Data on Gd5B3O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663025.  https://www.osti.gov/servlets/purl/1663025. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1663025,

  title        = {Materials Data on Gd5B3O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd5B3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.22–2.57 Å. In the second Gd site, Gd is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.38 Å) and three longer (2.67 Å) Gd–O bond lengths. B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Gd and one B atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Gd atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom.},

  doi          = {10.17188/1663025},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663025

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