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Title: Materials Data on YbYCdS4 by Materials Project

Abstract

YbYCdS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded to six S2- atoms to form YbS6 octahedra that share corners with six equivalent CdS4 tetrahedra, edges with two equivalent YbS6 octahedra, and edges with four equivalent YS6 octahedra. There are four shorter (2.78 Å) and two longer (2.79 Å) Yb–S bond lengths. Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with six equivalent CdS4 tetrahedra, edges with two equivalent YS6 octahedra, and edges with four equivalent YbS6 octahedra. There are two shorter (2.73 Å) and four longer (2.74 Å) Y–S bond lengths. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with six equivalent YbS6 octahedra and corners with six equivalent YS6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are two shorter (2.56 Å) and two longer (2.58 Å) Cd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Yb3+, one Y3+, and one Cd2+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometrymore » to one Yb3+, two equivalent Y3+, and one Cd2+ atom.« less

Publication Date:
Other Number(s):
mp-1215620
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YbYCdS4; Cd-S-Y-Yb
OSTI Identifier:
1707117
DOI:
https://doi.org/10.17188/1707117

Citation Formats

The Materials Project. Materials Data on YbYCdS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707117.
The Materials Project. Materials Data on YbYCdS4 by Materials Project. United States. doi:https://doi.org/10.17188/1707117
The Materials Project. 2020. "Materials Data on YbYCdS4 by Materials Project". United States. doi:https://doi.org/10.17188/1707117. https://www.osti.gov/servlets/purl/1707117. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1707117,
title = {Materials Data on YbYCdS4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbYCdS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded to six S2- atoms to form YbS6 octahedra that share corners with six equivalent CdS4 tetrahedra, edges with two equivalent YbS6 octahedra, and edges with four equivalent YS6 octahedra. There are four shorter (2.78 Å) and two longer (2.79 Å) Yb–S bond lengths. Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with six equivalent CdS4 tetrahedra, edges with two equivalent YS6 octahedra, and edges with four equivalent YbS6 octahedra. There are two shorter (2.73 Å) and four longer (2.74 Å) Y–S bond lengths. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with six equivalent YbS6 octahedra and corners with six equivalent YS6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are two shorter (2.56 Å) and two longer (2.58 Å) Cd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Yb3+, one Y3+, and one Cd2+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Yb3+, two equivalent Y3+, and one Cd2+ atom.},
doi = {10.17188/1707117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}