Materials Data on YSF by Materials Project
Abstract
YSF crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to two equivalent S2- and six equivalent F1- atoms to form YS2F6 hexagonal bipyramids that share corners with six equivalent YS6 octahedra and edges with six equivalent YS2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 59°. Both Y–S bond lengths are 2.77 Å. All Y–F bond lengths are 2.35 Å. In the second Y3+ site, Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent YS2F6 hexagonal bipyramids and edges with six equivalent YS6 octahedra. All Y–S bond lengths are 2.76 Å. S2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing SY4 trigonal pyramids. F1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3632
- 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; YSF; F-S-Y
- OSTI Identifier:
- 1207163
- DOI:
- https://doi.org/10.17188/1207163
Citation Formats
The Materials Project. Materials Data on YSF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207163.
The Materials Project. Materials Data on YSF by Materials Project. United States. doi:https://doi.org/10.17188/1207163
The Materials Project. 2020.
"Materials Data on YSF by Materials Project". United States. doi:https://doi.org/10.17188/1207163. https://www.osti.gov/servlets/purl/1207163. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207163,
title = {Materials Data on YSF by Materials Project},
author = {The Materials Project},
abstractNote = {YSF crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to two equivalent S2- and six equivalent F1- atoms to form YS2F6 hexagonal bipyramids that share corners with six equivalent YS6 octahedra and edges with six equivalent YS2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 59°. Both Y–S bond lengths are 2.77 Å. All Y–F bond lengths are 2.35 Å. In the second Y3+ site, Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent YS2F6 hexagonal bipyramids and edges with six equivalent YS6 octahedra. All Y–S bond lengths are 2.76 Å. S2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing SY4 trigonal pyramids. F1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.},
doi = {10.17188/1207163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}