Materials Data on Mg2Ga by Materials Project

doi:10.17188/1701439

Title: Materials Data on Mg2Ga by Materials Project

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Abstract

Mg2Ga 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 distorted water-like geometry to four equivalent Mg and two equivalent Ga atoms. All Mg–Mg bond lengths are 3.03 Å. Both Mg–Ga bond lengths are 2.96 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms. Both Mg–Mg bond lengths are 3.02 Å. All Mg–Ga bond lengths are 3.01 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Mg–Ga bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. Both Mg–Mg bond lengths are 3.33 Å. There are two shorter (3.10 Å) and two longer (3.13 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 3.04 Å. In the second Ga site, Ga is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1094647

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; Mg2Ga; Ga-Mg

OSTI Identifier:: 1701439

DOI:: https://doi.org/10.17188/1701439

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                    The Materials Project. Materials Data on Mg2Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1701439.

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                    The Materials Project. Materials Data on Mg2Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1701439

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                    The Materials Project. 2020.  
"Materials Data on Mg2Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1701439.  https://www.osti.gov/servlets/purl/1701439. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1701439,

  title        = {Materials Data on Mg2Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Ga 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 distorted water-like geometry to four equivalent Mg and two equivalent Ga atoms. All Mg–Mg bond lengths are 3.03 Å. Both Mg–Ga bond lengths are 2.96 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms. Both Mg–Mg bond lengths are 3.02 Å. All Mg–Ga bond lengths are 3.01 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Mg–Ga bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. Both Mg–Mg bond lengths are 3.33 Å. There are two shorter (3.10 Å) and two longer (3.13 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 3.04 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms.},

  doi          = {10.17188/1701439},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1701439

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