Materials Data on La7(BrO6)3 by Materials Project

doi:10.17188/1654227

Title: Materials Data on La7(BrO6)3 by Materials Project

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Abstract

La7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one La7O18 framework. In the La7O18 framework, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.51 Å. In the second 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 2.47–2.80 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.48 Å) and six longer (2.59 Å) La–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one O2- atom. The O–O bond length is 1.48 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1212141

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; La7(BrO6)3; Br-La-O

OSTI Identifier:: 1654227

DOI:: https://doi.org/10.17188/1654227

Citation Formats


                    The Materials Project. Materials Data on La7(BrO6)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654227.

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                    The Materials Project. Materials Data on La7(BrO6)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654227

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                    The Materials Project. 2020.  
"Materials Data on La7(BrO6)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654227.  https://www.osti.gov/servlets/purl/1654227. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1654227,

  title        = {Materials Data on La7(BrO6)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one La7O18 framework. In the La7O18 framework, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.51 Å. In the second 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 2.47–2.80 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.48 Å) and six longer (2.59 Å) La–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one O2- atom. The O–O bond length is 1.48 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one O2- atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ atoms.},

  doi          = {10.17188/1654227},

  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/10.17188/1654227

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