Materials Data on U3Ga2Si3 by Materials Project

doi:10.17188/1675930

Title: Materials Data on U3Ga2Si3 by Materials Project

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Abstract

U3Ga2Si3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to three U and six Si atoms. There are one shorter (2.60 Å) and two longer (2.63 Å) U–U bond lengths. There are a spread of U–Si bond distances ranging from 2.90–3.19 Å. In the second U site, U is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Ga, and six Si atoms. There are one shorter (2.93 Å) and one longer (3.15 Å) U–Ga bond lengths. There are a spread of U–Si bond distances ranging from 2.93–3.09 Å. In the third U site, U is bonded in a 8-coordinate geometry to one U, two equivalent Ga, and six Si atoms. Both U–Ga bond lengths are 3.09 Å. There are a spread of U–Si bond distances ranging from 2.81–3.30 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Ga–Si bond distances ranging from 2.55–2.99 Å. In the second Ga site, Ga is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1217498

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; U3Ga2Si3; Ga-Si-U

OSTI Identifier:: 1675930

DOI:: https://doi.org/10.17188/1675930

Citation Formats


                    The Materials Project. Materials Data on U3Ga2Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675930.

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                    The Materials Project. Materials Data on U3Ga2Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675930

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                    The Materials Project. 2020.  
"Materials Data on U3Ga2Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675930.  https://www.osti.gov/servlets/purl/1675930. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1675930,

  title        = {Materials Data on U3Ga2Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U3Ga2Si3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to three U and six Si atoms. There are one shorter (2.60 Å) and two longer (2.63 Å) U–U bond lengths. There are a spread of U–Si bond distances ranging from 2.90–3.19 Å. In the second U site, U is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Ga, and six Si atoms. There are one shorter (2.93 Å) and one longer (3.15 Å) U–Ga bond lengths. There are a spread of U–Si bond distances ranging from 2.93–3.09 Å. In the third U site, U is bonded in a 8-coordinate geometry to one U, two equivalent Ga, and six Si atoms. Both U–Ga bond lengths are 3.09 Å. There are a spread of U–Si bond distances ranging from 2.81–3.30 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Ga–Si bond distances ranging from 2.55–2.99 Å. In the second Ga site, Ga is bonded in a 6-coordinate geometry to four U, one Ga, and three Si atoms. The Ga–Ga bond length is 2.92 Å. There are one shorter (2.52 Å) and two longer (2.53 Å) Ga–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six U and three Ga atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six U and four Ga atoms. In the third Si site, Si is bonded to six U and two equivalent Ga atoms to form a mixture of distorted edge and corner-sharing SiU6Ga2 hexagonal bipyramids.},

  doi          = {10.17188/1675930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1675930

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