Materials Data on Ca(SiPd)2 by Materials Project

doi:10.17188/1274034

Title: Materials Data on Ca(SiPd)2 by Materials Project

Dataset
Other Related Research

Abstract

Ca(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Si4- atoms to form CaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent CaSi8 hexagonal bipyramids. All Ca–Si bond lengths are 3.24 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent CaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-567769

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; Ca(SiPd)2; Ca-Pd-Si

OSTI Identifier:: 1274034

DOI:: https://doi.org/10.17188/1274034

Citation Formats


                    The Materials Project. Materials Data on Ca(SiPd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274034.

Copy to clipboard


                    The Materials Project. Materials Data on Ca(SiPd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274034

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ca(SiPd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274034.  https://www.osti.gov/servlets/purl/1274034. Pub date:Fri Jul 17 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1274034,

  title        = {Materials Data on Ca(SiPd)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Si4- atoms to form CaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent CaSi8 hexagonal bipyramids. All Ca–Si bond lengths are 3.24 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent CaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.},

  doi          = {10.17188/1274034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1274034

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ce(SiPd)2 by Materials Project

Dataset The Materials Project

CePd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.19 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent CeSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on Ho(SiPd)2 by Materials Project

Dataset The Materials Project

HoPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Ho–Pd bond lengths are 3.25 Å. All Ho–Si bond lengths are 3.14 Å. Pd is bonded to four equivalent Ho and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing PdHo4Si4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.31 Å.
Materials Data on Lu(SiPd)2 by Materials Project

Dataset The Materials Project

LuPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Lu–Pd bond lengths are 3.23 Å. All Lu–Si bond lengths are 3.13 Å. Pd is bonded to four equivalent Lu and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing PdLu4Si4 tetrahedra. All Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.29 Å.
Materials Data on Eu(SiPd)2 by Materials Project

Dataset The Materials Project

EuPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. All Eu–Si bond lengths are 3.25 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
Materials Data on Pu(SiPd)2 by Materials Project

Dataset The Materials Project

Pu(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu4+ is bonded to eight equivalent Si4- atoms to form PuSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent PuSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent PuSi8 hexagonal bipyramids. All Pu–Si bond lengths are 3.08 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PuSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent PuSi8 hexagonal bipyramids, and edges with four equivalentmore »« less

Similar Records