Materials Data on K2Cu(BrF)2 by Materials Project
K2Cu(BrF)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent Br1- and four equivalent F1- atoms to form a mixture of distorted edge and corner-sharing KBr2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–Br bond lengths are 3.32 Å. All K–F bond lengths are 2.51 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.51 Å. Br1- is bonded in a square co-planar geometry to two equivalent K1+ and two equivalent Cu2+ atoms. F1- is bonded in a square co-planar geometry to four equivalent K1+ 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:
- 1684248
- Report Number(s):
- mp-1147537
- Country of Publication:
- United States
- Language:
- English
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