Materials Data on Al4GaSb5 by Materials Project

doi:10.17188/1738804

Title: Materials Data on Al4GaSb5 by Materials Project

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Abstract

GaAl4Sb5 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with two equivalent GaSb4 tetrahedra and corners with ten AlSb4 tetrahedra. All Ga–Sb bond lengths are 2.70 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share corners with four equivalent GaSb4 tetrahedra and corners with eight AlSb4 tetrahedra. All Al–Sb bond lengths are 2.70 Å. In the second Al3+ site, Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share a cornercorner with one GaSb4 tetrahedra and corners with eleven AlSb4 tetrahedra. All Al–Sb bond lengths are 2.70 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing SbAl2Ga2 tetrahedra. In the second Sb3- site, Sb3- is bonded to one Ga3+ and three Al3+ atoms to form corner-sharing SbAl3Ga tetrahedra. In the third Sb3- site, Sb3- is bonded to four Al3+ atoms to form corner-sharing SbAl4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1228691

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; Al4GaSb5; Al-Ga-Sb

OSTI Identifier:: 1738804

DOI:: https://doi.org/10.17188/1738804

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                    The Materials Project. Materials Data on Al4GaSb5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738804.

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                    The Materials Project. Materials Data on Al4GaSb5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738804

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                    The Materials Project. 2020.  
"Materials Data on Al4GaSb5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738804.  https://www.osti.gov/servlets/purl/1738804. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1738804,

  title        = {Materials Data on Al4GaSb5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaAl4Sb5 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with two equivalent GaSb4 tetrahedra and corners with ten AlSb4 tetrahedra. All Ga–Sb bond lengths are 2.70 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share corners with four equivalent GaSb4 tetrahedra and corners with eight AlSb4 tetrahedra. All Al–Sb bond lengths are 2.70 Å. In the second Al3+ site, Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share a cornercorner with one GaSb4 tetrahedra and corners with eleven AlSb4 tetrahedra. All Al–Sb bond lengths are 2.70 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing SbAl2Ga2 tetrahedra. In the second Sb3- site, Sb3- is bonded to one Ga3+ and three Al3+ atoms to form corner-sharing SbAl3Ga tetrahedra. In the third Sb3- site, Sb3- is bonded to four Al3+ atoms to form corner-sharing SbAl4 tetrahedra.},

  doi          = {10.17188/1738804},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738804

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