Materials Data on U(SiNi5)2 by Materials Project

doi:10.17188/1699001

Title: Materials Data on U(SiNi5)2 by Materials Project

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Abstract

UNi10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of U–Ni bond distances ranging from 2.67–3.09 Å. All U–Si bond lengths are 3.16 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to one U, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.96 Å. Both Ni–Si bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one U, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.71 Å. Both Ni–Si bond lengths are 2.40 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent U, nine Ni, and two equivalent Si atoms. There are four shorter (2.44 Å) and one longer (2.83 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.50 Å. In the fourth Ni site, Ni is bonded to two equivalent U, eight Ni, and two equivalent Si atoms to form distortedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217045

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; U(SiNi5)2; Ni-Si-U

OSTI Identifier:: 1699001

DOI:: https://doi.org/10.17188/1699001

Citation Formats


                    The Materials Project. Materials Data on U(SiNi5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1699001.

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                    The Materials Project. Materials Data on U(SiNi5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699001

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                    The Materials Project. 2020.  
"Materials Data on U(SiNi5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699001.  https://www.osti.gov/servlets/purl/1699001. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1699001,

  title        = {Materials Data on U(SiNi5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UNi10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of U–Ni bond distances ranging from 2.67–3.09 Å. All U–Si bond lengths are 3.16 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to one U, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.96 Å. Both Ni–Si bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one U, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.71 Å. Both Ni–Si bond lengths are 2.40 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent U, nine Ni, and two equivalent Si atoms. There are four shorter (2.44 Å) and one longer (2.83 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.50 Å. In the fourth Ni site, Ni is bonded to two equivalent U, eight Ni, and two equivalent Si atoms to form distorted NiU2Si2Ni8 cuboctahedra that share corners with four equivalent SiU2Ni10 cuboctahedra, corners with ten equivalent NiU2Si2Ni8 cuboctahedra, edges with two equivalent SiU2Ni10 cuboctahedra, edges with four equivalent NiU2Si2Ni8 cuboctahedra, faces with four equivalent SiU2Ni10 cuboctahedra, and faces with six equivalent NiU2Si2Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.40 Å. Both Ni–Si bond lengths are 2.30 Å. Si is bonded to two equivalent U and ten Ni atoms to form distorted SiU2Ni10 cuboctahedra that share corners with six equivalent SiU2Ni10 cuboctahedra, corners with eight equivalent NiU2Si2Ni8 cuboctahedra, edges with three equivalent SiU2Ni10 cuboctahedra, edges with four equivalent NiU2Si2Ni8 cuboctahedra, a faceface with one SiU2Ni10 cuboctahedra, and faces with eight equivalent NiU2Si2Ni8 cuboctahedra.},

  doi          = {10.17188/1699001},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1699001

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