Materials Data on Tm2Ga10Os3 by Materials Project

doi:10.17188/1280684

Title: Materials Data on Tm2Ga10Os3 by Materials Project

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Abstract

Tm2Os3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to four Os and ten Ga atoms. There are two shorter (3.19 Å) and two longer (3.26 Å) Tm–Os bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.93–3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to two equivalent Tm and ten Ga atoms to form distorted OsTm2Ga10 cuboctahedra that share corners with two equivalent OsTm2Ga10 cuboctahedra, edges with five equivalent OsTm2Ga10 cuboctahedra, and faces with four equivalent OsTm4Ga8 cuboctahedra. There are a spread of Os–Ga bond distances ranging from 2.64–2.71 Å. In the second Os site, Os is bonded to four equivalent Tm and eight Ga atoms to form distorted OsTm4Ga8 cuboctahedra that share corners with four equivalent OsTm4Ga8 cuboctahedra and faces with eight equivalent OsTm2Ga10 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Tm, two equivalent Os, and five Ga atoms. There are four shorter (2.67 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In themore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-647243

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; Tm2Ga10Os3; Ga-Os-Tm

OSTI Identifier:: 1280684

DOI:: https://doi.org/10.17188/1280684

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                    The Materials Project. Materials Data on Tm2Ga10Os3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280684.

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                    The Materials Project. Materials Data on Tm2Ga10Os3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280684

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                    The Materials Project. 2020.  
"Materials Data on Tm2Ga10Os3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280684.  https://www.osti.gov/servlets/purl/1280684. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1280684,

  title        = {Materials Data on Tm2Ga10Os3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2Os3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to four Os and ten Ga atoms. There are two shorter (3.19 Å) and two longer (3.26 Å) Tm–Os bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.93–3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to two equivalent Tm and ten Ga atoms to form distorted OsTm2Ga10 cuboctahedra that share corners with two equivalent OsTm2Ga10 cuboctahedra, edges with five equivalent OsTm2Ga10 cuboctahedra, and faces with four equivalent OsTm4Ga8 cuboctahedra. There are a spread of Os–Ga bond distances ranging from 2.64–2.71 Å. In the second Os site, Os is bonded to four equivalent Tm and eight Ga atoms to form distorted OsTm4Ga8 cuboctahedra that share corners with four equivalent OsTm4Ga8 cuboctahedra and faces with eight equivalent OsTm2Ga10 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Tm, two equivalent Os, and five Ga atoms. There are four shorter (2.67 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.92 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.92 Å.},

  doi          = {10.17188/1280684},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280684

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