U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb10YbSe16 by Materials Project
Abstract
YbTb10Se16 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Yb2+ is bonded to eight Se2- atoms to form distorted YbSe8 hexagonal bipyramids that share corners with four equivalent TbSe8 hexagonal bipyramids and faces with four equivalent TbSe8 hexagonal bipyramids. There are four shorter (2.93 Å) and four longer (3.15 Å) Yb–Se bond lengths. There are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to eight Se2- atoms to form distorted TbSe8 hexagonal bipyramids that share a cornercorner with one YbSe8 hexagonal bipyramid, corners with two equivalent TbSe8 hexagonal bipyramids, edges with two equivalent TbSe8 hexagonal bipyramids, a faceface with one YbSe8 hexagonal bipyramid, and faces with two equivalent TbSe8 hexagonal bipyramids. There are a spread of Tb–Se bond distances ranging from 2.88–3.18 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.89–3.16 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.89–3.23 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1173113
- 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; Se-Tb-Yb; Tb10YbSe16; crystal structure
- OSTI Identifier:
- 1698822
- DOI:
- https://doi.org/10.17188/1698822
Citation Formats
Materials Data on Tb10YbSe16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698822.
Materials Data on Tb10YbSe16 by Materials Project. United States. doi:https://doi.org/10.17188/1698822
2020.
"Materials Data on Tb10YbSe16 by Materials Project". United States. doi:https://doi.org/10.17188/1698822. https://www.osti.gov/servlets/purl/1698822. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1698822,
title = {Materials Data on Tb10YbSe16 by Materials Project},
abstractNote = {YbTb10Se16 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Yb2+ is bonded to eight Se2- atoms to form distorted YbSe8 hexagonal bipyramids that share corners with four equivalent TbSe8 hexagonal bipyramids and faces with four equivalent TbSe8 hexagonal bipyramids. There are four shorter (2.93 Å) and four longer (3.15 Å) Yb–Se bond lengths. There are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to eight Se2- atoms to form distorted TbSe8 hexagonal bipyramids that share a cornercorner with one YbSe8 hexagonal bipyramid, corners with two equivalent TbSe8 hexagonal bipyramids, edges with two equivalent TbSe8 hexagonal bipyramids, a faceface with one YbSe8 hexagonal bipyramid, and faces with two equivalent TbSe8 hexagonal bipyramids. There are a spread of Tb–Se bond distances ranging from 2.88–3.18 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.89–3.16 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.89–3.23 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted edge and corner-sharing SeTb5 square pyramids. In the second Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeTb5 square pyramids. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five Tb3+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five Tb3+ atoms.},
doi = {10.17188/1698822},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}