Materials Data on CsTmCoS3 by Materials Project
CsTmCoS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.57–3.81 Å. Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with two equivalent TmS6 octahedra, edges with two equivalent TmS6 octahedra, and edges with four equivalent CoS4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are two shorter (2.70 Å) and four longer (2.71 Å) Tm–S bond lengths. Co2+ is bonded to four S2- atoms to form CoS4 tetrahedra that share corners with two equivalent CoS4 tetrahedra and edges with four equivalent TmS6 octahedra. There are two shorter (2.26 Å) and two longer (2.35 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Tm3+, and one Co2+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Tm3+, and two equivalent Co2+ 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:
- 1272217
- Report Number(s):
- mp-561722
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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