Materials Data on LaBN2 by Materials Project

doi:10.17188/1204046

Title: Materials Data on LaBN2 by Materials Project

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Abstract

LaBN2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.54–3.00 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.40–2.88 Å. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.46–2.67 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.45–1.50 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.45–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are six inequivalent N3-more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-29597

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; LaBN2; B-La-N

OSTI Identifier:: 1204046

DOI:: https://doi.org/10.17188/1204046

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                    The Materials Project. Materials Data on LaBN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204046.

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                    The Materials Project. Materials Data on LaBN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204046

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                    The Materials Project. 2020.  
"Materials Data on LaBN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204046.  https://www.osti.gov/servlets/purl/1204046. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204046,

  title        = {Materials Data on LaBN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaBN2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.54–3.00 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.40–2.88 Å. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.46–2.67 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.45–1.50 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.45–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three La3+ and two B3+ atoms. In the second N3- site, N3- is bonded in a distorted water-like geometry to four La3+ and two B3+ atoms. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and one B3+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. In the fifth N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and one B3+ atom. In the sixth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three La3+ and two B3+ atoms.},

  doi          = {10.17188/1204046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204046

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