Materials Data on Ce3(SiRh)2 by Materials Project

doi:10.17188/1315870

Title: Materials Data on Ce3(SiRh)2 by Materials Project

Dataset
Other Related Research

Abstract

Ce3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.00–3.29 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (2.91 Å) and two longer (3.11 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.03–3.37 Å. Rh is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to eight Ce and four equivalent Rh atoms to form a mixture of distorted edge, corner, and face-sharing SiCe8Rh4 cuboctahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Ce and two equivalent Rh atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-978253

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; Ce3(SiRh)2; Ce-Rh-Si

OSTI Identifier:: 1315870

DOI:: https://doi.org/10.17188/1315870

Citation Formats


                    The Materials Project. Materials Data on Ce3(SiRh)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315870.

Copy to clipboard


                    The Materials Project. Materials Data on Ce3(SiRh)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315870

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ce3(SiRh)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315870.  https://www.osti.gov/servlets/purl/1315870. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1315870,

  title        = {Materials Data on Ce3(SiRh)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.00–3.29 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (2.91 Å) and two longer (3.11 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.03–3.37 Å. Rh is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to eight Ce and four equivalent Rh atoms to form a mixture of distorted edge, corner, and face-sharing SiCe8Rh4 cuboctahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Ce and two equivalent Rh atoms.},

  doi          = {10.17188/1315870},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1315870

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sm(SiRh)2 by Materials Project

Dataset The Materials Project

Sm(RhSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.15 Å. Rh3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RhSi4 tetrahedra. All Rh–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.49 Å.
Materials Data on Ho(SiRh)2 by Materials Project

Dataset The Materials Project

HoRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Ho–Rh bond lengths are 3.22 Å. All Ho–Si bond lengths are 3.12 Å. Rh is bonded to four equivalent Ho and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhHo4Si4 tetrahedra. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.42 Å.
Materials Data on Np(SiRh)2 by Materials Project

Dataset The Materials Project

Np(RhSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Np–Rh bond lengths are 3.22 Å. All Np–Si bond lengths are 3.05 Å. Rh is bonded to four equivalent Np and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing RhNp4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Np, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.34 Å.
Materials Data on Lu(SiRh)2 by Materials Project

Dataset The Materials Project

LuRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Lu–Rh bond lengths are 3.19 Å. All Lu–Si bond lengths are 3.10 Å. Rh is bonded to four equivalent Lu and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing RhLu4Si4 tetrahedra. All Rh–Si bond lengths are 2.39 Å. Si is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.38 Å.
Materials Data on Y(SiRh)2 by Materials Project

Dataset The Materials Project

YRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Y–Rh bond lengths are 3.23 Å. All Y–Si bond lengths are 3.13 Å. Rh is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhY4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.44 Å.

Similar Records