Materials Data on KFeTc2 by Materials Project
KTc2Fe crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to ten Tc2- and four equivalent Fe3+ atoms. There are four shorter (2.74 Å) and six longer (3.16 Å) K–Tc bond lengths. All K–Fe bond lengths are 2.74 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to four equivalent K1+ and four equivalent Tc2- atoms to form distorted edge-sharing TcK4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc2- site, Tc2- is bonded in a 4-coordinate geometry to six equivalent K1+, four equivalent Tc2-, and four equivalent Fe3+ atoms. All Tc–Fe bond lengths are 2.74 Å. Fe3+ is bonded in a distorted body-centered cubic geometry to four equivalent K1+ and four equivalent Tc2- 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:
- 1279122
- Report Number(s):
- mp-631396
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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