Materials Data on Pr(SiAu)2 by Materials Project

doi:10.17188/1205502

Title: Materials Data on Pr(SiAu)2 by Materials Project

Dataset
Other Related Research

Abstract

PrAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Si4- atoms to form PrSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.29 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.36 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-31202

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-Pr-Si; crystal structure; Pr(SiAu)2

OSTI Identifier:: 1205502

DOI:: https://doi.org/10.17188/1205502

Citation Formats


                    Materials Data on Pr(SiAu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205502.

Copy to clipboard


                    Materials Data on Pr(SiAu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205502

Copy to clipboard


                    2020.  
"Materials Data on Pr(SiAu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205502.  https://www.osti.gov/servlets/purl/1205502. Pub date:Wed Jul 15 20:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1205502,

  title        = {Materials Data on Pr(SiAu)2 by Materials Project},

  
  abstractNote = {PrAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Si4- atoms to form PrSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.29 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.36 Å.},

  doi          = {10.17188/1205502},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1205502

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Th(SiAu)2 by Materials Project

Dataset

Th(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Si4- atoms to form ThSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent ThSi8 hexagonal bipyramids. All Th–Si bond lengths are 3.30 Å. Au2+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent ThSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on Yb(SiAu)2 by Materials Project

Dataset

YbAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All Yb–Au bond lengths are 3.32 Å. Au1- is bonded in a 4-coordinate geometry to four equivalent Yb2+ and four equivalent Si atoms. All Au–Si bond lengths are 2.57 Å. Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.30 Å.
Materials Data on Np(SiAu)2 by Materials Project

Dataset

Np(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np7+ is bonded to eight equivalent Si4- atoms to form NpSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent NpSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent NpSi8 hexagonal bipyramids. All Np–Si bond lengths are 3.18 Å. Au+0.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent NpSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent NpSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on Er(SiAu)2 by Materials Project

Dataset

Er(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent Si4- atoms to form ErSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent ErSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent ErSi8 hexagonal bipyramids. All Er–Si bond lengths are 3.22 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent ErSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent ErSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on Eu(SiAu)2 by Materials Project

Dataset

Eu(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All Eu–Au bond lengths are 3.37 Å. Au1- is bonded to four equivalent Eu2+ and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing AuEu4Si4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.35 Å.

Similar Records