Materials Data on La(Ga5Mo)8 by Materials Project

doi:10.17188/1724827

Title: Materials Data on La(Ga5Mo)8 by Materials Project

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Abstract

La(MoGa5)8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Mo and six equivalent Ga atoms. Both La–Mo bond lengths are 3.25 Å. All La–Ga bond lengths are 3.08 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to one La and nine Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.62–2.68 Å. In the second Mo site, Mo is bonded in a distorted q6 geometry to ten Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.57–2.71 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.92 Å) and six longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to two equivalent Mo atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and two equivalent Ga atoms. There are one shorter (2.78 Å) and one longer (3.00 Å) Ga–Ga bond lengths. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1204258

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; La(Ga5Mo)8; Ga-La-Mo

OSTI Identifier:: 1724827

DOI:: https://doi.org/10.17188/1724827

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                    The Materials Project. Materials Data on La(Ga5Mo)8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724827.

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                    The Materials Project. Materials Data on La(Ga5Mo)8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724827

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                    The Materials Project. 2020.  
"Materials Data on La(Ga5Mo)8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724827.  https://www.osti.gov/servlets/purl/1724827. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1724827,

  title        = {Materials Data on La(Ga5Mo)8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La(MoGa5)8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Mo and six equivalent Ga atoms. Both La–Mo bond lengths are 3.25 Å. All La–Ga bond lengths are 3.08 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to one La and nine Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.62–2.68 Å. In the second Mo site, Mo is bonded in a distorted q6 geometry to ten Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.57–2.71 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.92 Å) and six longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to two equivalent Mo atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and two equivalent Ga atoms. There are one shorter (2.78 Å) and one longer (3.00 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two equivalent Mo and one Ga atom. In the fifth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two Mo and one Ga atom. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and one Ga atom. The Ga–Ga bond length is 2.70 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two Mo and two equivalent Ga atoms. There are one shorter (2.75 Å) and one longer (2.94 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to one La, two Mo, and five Ga atoms.},

  doi          = {10.17188/1724827},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1724827

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