Materials Data on Fe(RhSe2)2 by Materials Project
Fe(RhSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Fe2+ is bonded to six Se2- atoms to form FeSe6 octahedra that share corners with twelve equivalent RhSe6 octahedra, edges with two equivalent FeSe6 octahedra, and faces with two equivalent RhSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are two shorter (2.49 Å) and four longer (2.57 Å) Fe–Se bond lengths. Rh3+ is bonded to six Se2- atoms to form RhSe6 octahedra that share corners with six equivalent FeSe6 octahedra, edges with six equivalent RhSe6 octahedra, and a faceface with one FeSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Rh–Se bond distances ranging from 2.48–2.60 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one Fe2+ and three equivalent Rh3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Fe2+ and three equivalent Rh3+ atoms.
- 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:
- 1757084
- Report Number(s):
- mp-1078162
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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