U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb2S3 by Materials Project
Abstract
Yb2S3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. There are a spread of Yb–S bond distances ranging from 2.66–3.02 Å. In the second Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Yb–S bond distances ranging from 2.69–3.09 Å. In the third Yb3+ site, Yb3+ is bonded to seven S2- atoms to form distorted YbS7 pentagonal bipyramids that share a cornercorner with one YbS6 octahedra, edges with two equivalent YbS6 octahedra, and edges with three equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 89°. There are a spread of Yb–S bond distances ranging from 2.69–3.08 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Yb–S bond distances ranging from 2.77–3.03 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Yb3+ and one S2- atom. The S–S bond length is 2.10 Å. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1194076
- 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; Yb2S3; S-Yb
- OSTI Identifier:
- 1746855
- DOI:
- https://doi.org/10.17188/1746855
Citation Formats
The Materials Project. Materials Data on Yb2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746855.
The Materials Project. Materials Data on Yb2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1746855
The Materials Project. 2020.
"Materials Data on Yb2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1746855. https://www.osti.gov/servlets/purl/1746855. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746855,
title = {Materials Data on Yb2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2S3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. There are a spread of Yb–S bond distances ranging from 2.66–3.02 Å. In the second Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Yb–S bond distances ranging from 2.69–3.09 Å. In the third Yb3+ site, Yb3+ is bonded to seven S2- atoms to form distorted YbS7 pentagonal bipyramids that share a cornercorner with one YbS6 octahedra, edges with two equivalent YbS6 octahedra, and edges with three equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 89°. There are a spread of Yb–S bond distances ranging from 2.69–3.08 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Yb–S bond distances ranging from 2.77–3.03 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Yb3+ and one S2- atom. The S–S bond length is 2.10 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Yb3+ and one S2- atom. The S–S bond length is 2.11 Å. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six Yb3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to six Yb3+ atoms. In the fifth S2- site, S2- is bonded in a distorted tetrahedral geometry to three Yb3+ and one S2- atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Yb3+ and one S2- atom.},
doi = {10.17188/1746855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}