U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr(YbS2)2 by Materials Project
Abstract
Sr(YbS2)2 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 2.96–3.20 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six S2- atoms to form YbS6 octahedra that share corners with four equivalent YbS5 square pyramids and edges with four equivalent YbS6 octahedra. There are a spread of Yb–S bond distances ranging from 2.70–3.01 Å. In the second Yb3+ site, Yb3+ is bonded to five S2- atoms to form distorted YbS5 square pyramids that share corners with four equivalent YbS6 octahedra and edges with two equivalent YbS5 square pyramids. The corner-sharing octahedra tilt angles range from 53–70°. There are a spread of Yb–S bond distances ranging from 2.63–3.04 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form distorted edge-sharing SSr2Yb3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Yb3+, and one S2- atom. The S–S bond length is 2.14 Å. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1194208
- 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; Sr(YbS2)2; S-Sr-Yb
- OSTI Identifier:
- 1694880
- DOI:
- https://doi.org/10.17188/1694880
Citation Formats
The Materials Project. Materials Data on Sr(YbS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694880.
The Materials Project. Materials Data on Sr(YbS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1694880
The Materials Project. 2020.
"Materials Data on Sr(YbS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1694880. https://www.osti.gov/servlets/purl/1694880. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1694880,
title = {Materials Data on Sr(YbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(YbS2)2 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 2.96–3.20 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six S2- atoms to form YbS6 octahedra that share corners with four equivalent YbS5 square pyramids and edges with four equivalent YbS6 octahedra. There are a spread of Yb–S bond distances ranging from 2.70–3.01 Å. In the second Yb3+ site, Yb3+ is bonded to five S2- atoms to form distorted YbS5 square pyramids that share corners with four equivalent YbS6 octahedra and edges with two equivalent YbS5 square pyramids. The corner-sharing octahedra tilt angles range from 53–70°. There are a spread of Yb–S bond distances ranging from 2.63–3.04 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form distorted edge-sharing SSr2Yb3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Yb3+, and one S2- atom. The S–S bond length is 2.14 Å. In the third S2- site, S2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Yb3 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three equivalent Yb3+, and one S2- atom.},
doi = {10.17188/1694880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}