Materials Data on CrAgSe2 by Materials Project
AgCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are three shorter (2.53 Å) and three longer (2.59 Å) Cr–Se bond lengths. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are one shorter (2.56 Å) and three longer (2.80 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form distorted corner-sharing SeCr3Ag trigonal pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cr3+ and three equivalent Ag1+ 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:
- 1206981
- Report Number(s):
- mp-3532
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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