Materials Data on HoGa3Os by Materials Project

doi:10.17188/1722187

Title: Materials Data on HoGa3Os by Materials Project

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Abstract

HoOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Ho–Os bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Os is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted OsHo4Ga8 cuboctahedra that share corners with four equivalent OsHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent OsHo4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent OsHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ho, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1212057

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; HoGa3Os; Ga-Ho-Os

OSTI Identifier:: 1722187

DOI:: https://doi.org/10.17188/1722187

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                    The Materials Project. Materials Data on HoGa3Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722187.

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                    The Materials Project. Materials Data on HoGa3Os by Materials Project.  United States.  doi:https://doi.org/10.17188/1722187

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                    The Materials Project. 2020.  
"Materials Data on HoGa3Os by Materials Project".  United States.  doi:https://doi.org/10.17188/1722187.  https://www.osti.gov/servlets/purl/1722187. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722187,

  title        = {Materials Data on HoGa3Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Ho–Os bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Os is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted OsHo4Ga8 cuboctahedra that share corners with four equivalent OsHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent OsHo4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent OsHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ho, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.},

  doi          = {10.17188/1722187},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722187

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