Materials Data on Yb2Se3 by Materials Project
Abstract
Yb2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.92–3.41 Å. In the second Yb3+ site, Yb3+ is bonded to eight Se2- atoms to form distorted edge-sharing YbSe8 hexagonal bipyramids. There are a spread of Yb–Se bond distances ranging from 2.99–3.14 Å. In the third Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.94–3.42 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six Yb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeYb6 octahedra. The corner-sharing octahedra tilt angles range from 25–43°. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Yb3+ and one Se2- atom. The Se–Se bond length is 2.45 Å. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to five Yb3+ and one Se2- atom. The Se–Se bond length is 2.42 Å.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1283964
- Report Number(s):
- mp-684694
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Yb2Se3; Se-Yb
Citation Formats
The Materials Project. Materials Data on Yb2Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283964.
The Materials Project. Materials Data on Yb2Se3 by Materials Project. United States. https://doi.org/10.17188/1283964
The Materials Project. 2020.
"Materials Data on Yb2Se3 by Materials Project". United States. https://doi.org/10.17188/1283964. https://www.osti.gov/servlets/purl/1283964.
@article{osti_1283964,
title = {Materials Data on Yb2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.92–3.41 Å. In the second Yb3+ site, Yb3+ is bonded to eight Se2- atoms to form distorted edge-sharing YbSe8 hexagonal bipyramids. There are a spread of Yb–Se bond distances ranging from 2.99–3.14 Å. In the third Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.94–3.42 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six Yb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeYb6 octahedra. The corner-sharing octahedra tilt angles range from 25–43°. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Yb3+ and one Se2- atom. The Se–Se bond length is 2.45 Å. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to five Yb3+ and one Se2- atom. The Se–Se bond length is 2.42 Å.},
doi = {10.17188/1283964},
url = {https://www.osti.gov/biblio/1283964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}