Materials Data on Ba(ZnSi)2 by Materials Project

doi:10.17188/1707172

Title: Materials Data on Ba(ZnSi)2 by Materials Project

Dataset
Other Related Research

Abstract

Ba(ZnSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Ba–Zn bond lengths are 3.42 Å. All Ba–Si bond lengths are 3.43 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent Si atoms. All Zn–Si bond lengths are 2.62 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.49 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-26

Other Number(s):: mp-1070267

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; Ba(ZnSi)2; Ba-Si-Zn

OSTI Identifier:: 1707172

DOI:: https://doi.org/10.17188/1707172

Citation Formats


                    The Materials Project. Materials Data on Ba(ZnSi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707172.

Copy to clipboard


                    The Materials Project. Materials Data on Ba(ZnSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707172

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ba(ZnSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707172.  https://www.osti.gov/servlets/purl/1707172. Pub date:Sun Apr 26 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1707172,

  title        = {Materials Data on Ba(ZnSi)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(ZnSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Ba–Zn bond lengths are 3.42 Å. All Ba–Si bond lengths are 3.43 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent Si atoms. All Zn–Si bond lengths are 2.62 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.49 Å.},

  doi          = {10.17188/1707172},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1707172

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ca(ZnSi)2 by Materials Project

Dataset The Materials Project

CaZn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Ca–Zn bond lengths are 3.31 Å. All Ca–Si bond lengths are 3.23 Å. Zn is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing ZnCa4Si4 tetrahedra. All Zn–Si bond lengths are 2.53 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.35 Å.
Materials Data on Eu(ZnSi)2 by Materials Project

Dataset The Materials Project

EuZn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Eu–Zn bond lengths are 3.33 Å. All Eu–Si bond lengths are 3.24 Å. Zn is bonded to four equivalent Eu and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing ZnEu4Si4 tetrahedra. All Zn–Si bond lengths are 2.54 Å. Si is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.37 Å.
Materials Data on ZnSi(AgO2)2 by Materials Project

Dataset The Materials Project

Ag2ZnSiO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.36–2.48 Å. In the second Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and cornersmore »« less
Materials Data on Yb(ZnSi)2 by Materials Project

Dataset The Materials Project

Yb(ZnSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Yb–Zn bond lengths are 3.29 Å. All Yb–Si bond lengths are 3.20 Å. Zn is bonded to four equivalent Yb and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing ZnYb4Si4 tetrahedra. All Zn–Si bond lengths are 2.51 Å. Si is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.33 Å.
Materials Data on ZnSi(AgS2)2 by Materials Project

Dataset The Materials Project

Ag2ZnSiS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and corners with four equivalent SiS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.53–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent ZnS4more »« less

Similar Records