Materials Data on Dy(SiNi5)2 by Materials Project

doi:10.17188/1266513

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

Dataset
Other Related Research

Abstract

DyNi10Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–3.07 Å. All Dy–Si bond lengths are 3.17 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Dy, eight Ni, and two equivalent Si atoms to form NiDy2Si2Ni8 cuboctahedra that share corners with six equivalent SiDy2Ni10 cuboctahedra, corners with twelve NiDy2Si2Ni8 cuboctahedra, edges with four equivalent NiDy2Si2Ni8 cuboctahedra, edges with four equivalent SiDy2Ni10 cuboctahedra, faces with two equivalent SiDy2Ni10 cuboctahedra, and faces with twelve NiDy2Si2Ni8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.47 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.33 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to one Dy, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.97 Å. Both Ni–Si bond lengths are 2.52 Å. In the third Ni site, Ni is bonded to two equivalent Dy, eight Ni, and two equivalent Si atoms to form distorted NiDy2Si2Ni8 cuboctahedra that sharemore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-542389

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

OSTI Identifier:: 1266513

DOI:: https://doi.org/10.17188/1266513

Citation Formats


                    The Materials Project. Materials Data on Dy(SiNi5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266513.

Copy to clipboard


                    The Materials Project. Materials Data on Dy(SiNi5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266513

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Dy(SiNi5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266513.  https://www.osti.gov/servlets/purl/1266513. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1266513,

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

  author       = {The Materials Project},

  abstractNote = {DyNi10Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–3.07 Å. All Dy–Si bond lengths are 3.17 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Dy, eight Ni, and two equivalent Si atoms to form NiDy2Si2Ni8 cuboctahedra that share corners with six equivalent SiDy2Ni10 cuboctahedra, corners with twelve NiDy2Si2Ni8 cuboctahedra, edges with four equivalent NiDy2Si2Ni8 cuboctahedra, edges with four equivalent SiDy2Ni10 cuboctahedra, faces with two equivalent SiDy2Ni10 cuboctahedra, and faces with twelve NiDy2Si2Ni8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.47 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.33 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to one Dy, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.97 Å. Both Ni–Si bond lengths are 2.52 Å. In the third Ni site, Ni is bonded to two equivalent Dy, eight Ni, and two equivalent Si atoms to form distorted NiDy2Si2Ni8 cuboctahedra that share corners with four equivalent SiDy2Ni10 cuboctahedra, corners with fourteen NiDy2Si2Ni8 cuboctahedra, edges with two equivalent SiDy2Ni10 cuboctahedra, edges with five NiDy2Si2Ni8 cuboctahedra, faces with four equivalent SiDy2Ni10 cuboctahedra, and faces with eleven NiDy2Si2Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å. Both Ni–Si bond lengths are 2.31 Å. Si is bonded to two equivalent Dy and ten Ni atoms to form distorted SiDy2Ni10 cuboctahedra that share corners with four equivalent SiDy2Ni10 cuboctahedra, corners with fourteen NiDy2Si2Ni8 cuboctahedra, edges with eight NiDy2Si2Ni8 cuboctahedra, faces with four equivalent SiDy2Ni10 cuboctahedra, and faces with ten NiDy2Si2Ni8 cuboctahedra.},

  doi          = {10.17188/1266513},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1266513

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Er(SiNi5)2 by Materials Project

Dataset The Materials Project

ErNi10Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Er–Ni bond distances ranging from 2.87–3.06 Å. All Er–Si bond lengths are 3.16 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Er, eight Ni, and two equivalent Si atoms to form NiEr2Si2Ni8 cuboctahedra that share corners with six equivalent SiEr2Ni10 cuboctahedra, corners with twelve NiEr2Si2Ni8 cuboctahedra, edges with four equivalent NiEr2Si2Ni8 cuboctahedra, edges with four equivalent SiEr2Ni10 cuboctahedra,more »« less
Materials Data on Tb(SiNi5)2 by Materials Project

Dataset The Materials Project

TbNi10Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Tb–Ni bond distances ranging from 2.89–3.07 Å. All Tb–Si bond lengths are 3.17 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Tb, eight Ni, and two equivalent Si atoms to form NiTb2Si2Ni8 cuboctahedra that share corners with six equivalent SiTb2Ni10 cuboctahedra, corners with twelve NiTb2Si2Ni8 cuboctahedra, edges with four equivalent NiTb2Si2Ni8 cuboctahedra, edges with four equivalent SiTb2Ni10 cuboctahedra,more »« less
Materials Data on Ho(SiNi5)2 by Materials Project

Dataset The Materials Project

Ho(Ni5Si)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Ho–Ni bond distances ranging from 2.88–3.06 Å. All Ho–Si bond lengths are 3.16 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Ho, eight Ni, and two equivalent Si atoms to form NiHo2Si2Ni8 cuboctahedra that share corners with six equivalent SiHo2Ni10 cuboctahedra, corners with twelve NiHo2Si2Ni8 cuboctahedra, edges with four equivalent NiHo2Si2Ni8 cuboctahedra, edges with four equivalent SiHo2Ni10 cuboctahedra,more »« less
Materials Data on Tm(SiNi5)2 by Materials Project

Dataset The Materials Project

TmNi10Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Tm–Ni bond distances ranging from 2.87–3.06 Å. All Tm–Si bond lengths are 3.15 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Tm, eight Ni, and two equivalent Si atoms to form NiTm2Si2Ni8 cuboctahedra that share corners with six equivalent SiTm2Ni10 cuboctahedra, corners with twelve NiTm2Si2Ni8 cuboctahedra, edges with four equivalent NiTm2Si2Ni8 cuboctahedra, edges with four equivalent SiTm2Ni10 cuboctahedra,more »« less
Materials Data on Tb(SiNi5)2 by Materials Project

Dataset The Materials Project

TbNi10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eighteen Ni and two equivalent Si atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.13 Å. Both Tb–Si bond lengths are 2.88 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Tb, eight Ni, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing NiTb2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.79 Å. Both Ni–Si bond lengths aremore »« less

Similar Records