Materials Data on Ca(SiNi)2 by Materials Project

doi:10.17188/1263184

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

Dataset
Other Related Research

Abstract

Ca(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ca–Si bond lengths are 3.08 Å. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.50 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-5292

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(SiNi)2; Ca-Ni-Si

OSTI Identifier:: 1263184

DOI:: https://doi.org/10.17188/1263184

Citation Formats


                    The Materials Project. Materials Data on Ca(SiNi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263184.

Copy to clipboard


                    The Materials Project. Materials Data on Ca(SiNi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263184

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ca(SiNi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263184.  https://www.osti.gov/servlets/purl/1263184. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1263184,

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

  author       = {The Materials Project},

  abstractNote = {Ca(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ca–Si bond lengths are 3.08 Å. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.50 Å.},

  doi          = {10.17188/1263184},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1263184

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Nd(SiNi)2 by Materials Project

Dataset The Materials Project

NdNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.12 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.50 Å.
Materials Data on Sm(SiNi)2 by Materials Project

Dataset The Materials Project

Sm(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.10 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.32 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.47 Å.
Materials Data on Pu(SiNi)2 by Materials Project

Dataset The Materials Project

PuNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Pu–Si bond lengths are 3.05 Å. Ni2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pu4+, four equivalent Ni2+, and one Si4- atom. The Si–Si bond length is 2.42 Å.
Materials Data on U(SiNi)2 by Materials Project

Dataset The Materials Project

UNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.02 Å. Ni2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Ni2+, and one Si4- atom. The Si–Si bond length is 2.33 Å.
Materials Data on Er(SiNi)2 by Materials Project

Dataset The Materials Project

ErNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Er–Si bond lengths are 3.03 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Er3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

Similar Records