Materials Data on K2NaAg3(CN)6 by Materials Project
K2NaAg3(CN)6 is Potassium Silver Cyanide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded to six N3- atoms to form KN6 octahedra that share edges with three equivalent KN6 octahedra and edges with three equivalent NaN6 octahedra. There are four shorter (2.91 Å) and two longer (2.93 Å) K–N bond lengths. Na1+ is bonded to six N3- atoms to form NaN6 octahedra that share edges with six equivalent KN6 octahedra. All Na–N bond lengths are 2.58 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent C2+ atoms. Both Ag–C bond lengths are 2.06 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent C2+ atoms. Both Ag–C bond lengths are 2.06 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+, one Na1+, and one C2+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+, one Na1+, and one C2+ atom.
- 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:
- 1284188
- Report Number(s):
- mp-6855
- Country of Publication:
- United States
- Language:
- English
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