Materials Data on Er2Si3Rh by Materials Project

doi:10.17188/1728442

Title: Materials Data on Er2Si3Rh by Materials Project

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Abstract

Er2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve equivalent Si atoms to form ErSi12 cuboctahedra that share edges with twelve equivalent ErSi8Rh4 cuboctahedra and faces with eight ErSi12 cuboctahedra. There are six shorter (3.05 Å) and six longer (3.07 Å) Er–Si bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing ErSi8Rh4 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.09 Å) Er–Rh bond lengths. There are a spread of Er–Si bond distances ranging from 3.04–3.09 Å. Rh is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Rh–Si bond lengths are 2.36 Å. Si is bonded in a 1-coordinate geometry to six Er, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1191705

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; Er2Si3Rh; Er-Rh-Si

OSTI Identifier:: 1728442

DOI:: https://doi.org/10.17188/1728442

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                    The Materials Project. Materials Data on Er2Si3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728442.

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                    The Materials Project. Materials Data on Er2Si3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1728442

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                    The Materials Project. 2020.  
"Materials Data on Er2Si3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1728442.  https://www.osti.gov/servlets/purl/1728442. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1728442,

  title        = {Materials Data on Er2Si3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve equivalent Si atoms to form ErSi12 cuboctahedra that share edges with twelve equivalent ErSi8Rh4 cuboctahedra and faces with eight ErSi12 cuboctahedra. There are six shorter (3.05 Å) and six longer (3.07 Å) Er–Si bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing ErSi8Rh4 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.09 Å) Er–Rh bond lengths. There are a spread of Er–Si bond distances ranging from 3.04–3.09 Å. Rh is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Rh–Si bond lengths are 2.36 Å. Si is bonded in a 1-coordinate geometry to six Er, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.},

  doi          = {10.17188/1728442},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728442

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