Materials Data on Yb(HoSe2)2 by Materials Project
Abstract
Yb(HoSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent HoSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.93 Å) and four longer (2.97 Å) Yb–Se bond lengths. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.83 Å) and four longer (2.89 Å) Ho–Se bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six HoSe6 octahedra. There are four shorter (2.86 Å) and two longer (2.87 Å) Ho–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Ho3+ atoms to form a mixture ofmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215856
- 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; Yb(HoSe2)2; Ho-Se-Yb
- OSTI Identifier:
- 1675710
- DOI:
- https://doi.org/10.17188/1675710
Citation Formats
The Materials Project. Materials Data on Yb(HoSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675710.
The Materials Project. Materials Data on Yb(HoSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1675710
The Materials Project. 2020.
"Materials Data on Yb(HoSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1675710. https://www.osti.gov/servlets/purl/1675710. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1675710,
title = {Materials Data on Yb(HoSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(HoSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent HoSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.93 Å) and four longer (2.97 Å) Yb–Se bond lengths. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.83 Å) and four longer (2.89 Å) Ho–Se bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six HoSe6 octahedra. There are four shorter (2.86 Å) and two longer (2.87 Å) Ho–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Ho3+ atoms to form a mixture of corner and edge-sharing SeYb2Ho3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Ho3+ atoms.},
doi = {10.17188/1675710},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}