U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb(NdS2)2 by Materials Project
Abstract
Yb(NdS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent NdS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent NdS8 hexagonal bipyramids. There are four shorter (2.86 Å) and four longer (3.07 Å) Yb–S bond lengths. Nd3+ is bonded to eight equivalent S2- atoms to form distorted NdS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent NdS8 hexagonal bipyramids, edges with four equivalent NdS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.88–3.08 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Nd4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
- Publication Date:
- Other Number(s):
- mp-675244
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nd-S-Yb; Yb(NdS2)2; crystal structure
- OSTI Identifier:
- 1282634
- DOI:
- https://doi.org/10.17188/1282634
Citation Formats
Materials Data on Yb(NdS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282634.
Materials Data on Yb(NdS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282634
2020.
"Materials Data on Yb(NdS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282634. https://www.osti.gov/servlets/purl/1282634. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1282634,
title = {Materials Data on Yb(NdS2)2 by Materials Project},
abstractNote = {Yb(NdS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent NdS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent NdS8 hexagonal bipyramids. There are four shorter (2.86 Å) and four longer (3.07 Å) Yb–S bond lengths. Nd3+ is bonded to eight equivalent S2- atoms to form distorted NdS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent NdS8 hexagonal bipyramids, edges with four equivalent NdS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.88–3.08 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Nd4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.},
doi = {10.17188/1282634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}