Materials Data on LaMg6B by Materials Project

doi:10.17188/1685615

Title: Materials Data on LaMg6B by Materials Project

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Abstract

Mg6LaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.21 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent La atoms. There are four shorter (3.04 Å) and two longer (3.05 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.26 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.44 Å. Both Mg–La bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. La is bonded in a distorted bent 120 degrees geometry to six Mg and two equivalent B atoms. Both La–B bond lengths are 2.85 Å. B is bonded in a bent 120 degrees geometry to two equivalent La atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1099317

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; LaMg6B; B-La-Mg

OSTI Identifier:: 1685615

DOI:: https://doi.org/10.17188/1685615

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                    The Materials Project. Materials Data on LaMg6B by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685615.

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                    The Materials Project. Materials Data on LaMg6B by Materials Project.  United States.  doi:https://doi.org/10.17188/1685615

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                    The Materials Project. 2020.  
"Materials Data on LaMg6B by Materials Project".  United States.  doi:https://doi.org/10.17188/1685615.  https://www.osti.gov/servlets/purl/1685615. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685615,

  title        = {Materials Data on LaMg6B by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6LaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.21 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent La atoms. There are four shorter (3.04 Å) and two longer (3.05 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.26 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.44 Å. Both Mg–La bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. La is bonded in a distorted bent 120 degrees geometry to six Mg and two equivalent B atoms. Both La–B bond lengths are 2.85 Å. B is bonded in a bent 120 degrees geometry to two equivalent La atoms.},

  doi          = {10.17188/1685615},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685615

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