Materials Data on Ca(YbS2)2 by Materials Project
Abstract
CaYb2S4 is Magnesium tetraboride-derived structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.83 Å) and four longer (3.19 Å) Ca–S bond lengths. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.84–2.95 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Yb3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-675650
- 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(YbS2)2; Ca-S-Yb
- OSTI Identifier:
- 1282789
- DOI:
- https://doi.org/10.17188/1282789
Citation Formats
The Materials Project. Materials Data on Ca(YbS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282789.
The Materials Project. Materials Data on Ca(YbS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282789
The Materials Project. 2020.
"Materials Data on Ca(YbS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282789. https://www.osti.gov/servlets/purl/1282789. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282789,
title = {Materials Data on Ca(YbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaYb2S4 is Magnesium tetraboride-derived structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.83 Å) and four longer (3.19 Å) Ca–S bond lengths. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.84–2.95 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Yb3+ atoms.},
doi = {10.17188/1282789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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