Materials Data on K3Bi by Materials Project
K3Bi crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a trigonal planar geometry to three equivalent Bi atoms. All K–Bi bond lengths are 3.61 Å. In the second K site, K is bonded in a trigonal planar geometry to three equivalent Bi atoms. All K–Bi bond lengths are 3.62 Å. In the third K site, K is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are one shorter (3.67 Å) and two longer (3.96 Å) K–Bi bond lengths. In the fourth K site, K is bonded in a 2-coordinate geometry to two equivalent Bi atoms. There are one shorter (3.68 Å) and one longer (3.88 Å) K–Bi bond lengths. Bi is bonded in a 8-coordinate geometry to eight K atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1205560
- Report Number(s):
- mp-31286
- Country of Publication:
- United States
- Language:
- English
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