Materials Data on Yb2Se3 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1283964
- Report Number(s):
- mp-684694
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Yb2MgSe4 by Materials Project
Materials Data on Yb2MgSe4 by Materials Project