Materials Data on YS2 by Materials Project

doi:10.17188/1191684

Title: Materials Data on YS2 by Materials Project

Dataset
Other Related Research

Abstract

YS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Y–S bond lengths are 3.25 Å. S+1.50- is bonded to six equivalent Y3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SY6S6 cuboctahedra. All S–S bond lengths are 2.77 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-16228

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; YS2; S-Y

OSTI Identifier:: 1191684

DOI:: https://doi.org/10.17188/1191684

Citation Formats


                    The Materials Project. Materials Data on YS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191684.

Copy to clipboard


                    The Materials Project. Materials Data on YS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191684

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on YS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191684.  https://www.osti.gov/servlets/purl/1191684. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1191684,

  title        = {Materials Data on YS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Y–S bond lengths are 3.25 Å. S+1.50- is bonded to six equivalent Y3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SY6S6 cuboctahedra. All S–S bond lengths are 2.77 Å.},

  doi          = {10.17188/1191684},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1191684

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sr(YS2)2 by Materials Project

Dataset The Materials Project

SrY2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.91 Å) and four longer (3.13 Å) Sr–S bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.16 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Y3+ atoms.
Materials Data on Eu(YS2)2 by Materials Project

Dataset The Materials Project

Eu(YS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent S2- atoms to form distorted edge-sharing EuS8 hexagonal bipyramids. There are four shorter (2.87 Å) and four longer (3.07 Å) Eu–S bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.07 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and four equivalent Y3+ atoms.
Materials Data on Ba(YS2)2 by Materials Project

Dataset The Materials Project

BaY2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.21–3.40 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Y–S bond distances ranging from 2.73–2.79 Å. In the second Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture ofmore »« less
Materials Data on Sr(YS2)2 by Materials Project

Dataset The Materials Project

SrY2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.10–3.34 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YS6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Y–S bond distances ranging from 2.73–2.78 Å. In the second Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture ofmore »« less
Materials Data on Ca(YS2)2 by Materials Project

Dataset The Materials Project

CaY2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to seven S2- atoms to form distorted CaS7 pentagonal bipyramids that share corners with eight YS6 octahedra, edges with five YS6 octahedra, edges with two equivalent CaS7 pentagonal bipyramids, and faces with two equivalent CaS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 13–68°. There are a spread of Ca–S bond distances ranging from 2.88–3.06 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with three equivalentmore »« less

Similar Records