Materials Data on Yb3(SF2)2 by Materials Project
Abstract
Yb3F4S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb+2.67+ sites. In the first Yb+2.67+ site, Yb+2.67+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.75 Å) and four longer (3.09 Å) Yb–S bond lengths. All Yb–F bond lengths are 2.30 Å. In the second Yb+2.67+ site, Yb+2.67+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Yb–F bond lengths are 2.32 Å. S2- is bonded in a 1-coordinate geometry to five equivalent Yb+2.67+ atoms. F1- is bonded to four Yb+2.67+ atoms to form a mixture of corner and edge-sharing FYb4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558896
- 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; Yb3(SF2)2; F-S-Yb
- OSTI Identifier:
- 1270549
- DOI:
- https://doi.org/10.17188/1270549
Citation Formats
The Materials Project. Materials Data on Yb3(SF2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270549.
The Materials Project. Materials Data on Yb3(SF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270549
The Materials Project. 2020.
"Materials Data on Yb3(SF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270549. https://www.osti.gov/servlets/purl/1270549. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1270549,
title = {Materials Data on Yb3(SF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3F4S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb+2.67+ sites. In the first Yb+2.67+ site, Yb+2.67+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.75 Å) and four longer (3.09 Å) Yb–S bond lengths. All Yb–F bond lengths are 2.30 Å. In the second Yb+2.67+ site, Yb+2.67+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Yb–F bond lengths are 2.32 Å. S2- is bonded in a 1-coordinate geometry to five equivalent Yb+2.67+ atoms. F1- is bonded to four Yb+2.67+ atoms to form a mixture of corner and edge-sharing FYb4 tetrahedra.},
doi = {10.17188/1270549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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