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K3Mg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight equivalent K and two equivalent Mg atoms. There are a spread of K–K bond distances ranging from 4.10–4.54 Å. Both K–Mg bond lengths are 4.15 Å. Mg is bonded in a 6-coordinate geometry to six equivalent K atoms.
K3Mg is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. All K–K bond lengths are 4.13 Å. In the second K site, K is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Mg atoms. All K–Mg bond lengths are 4.13 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent K atoms.
(K)3Mg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one magnesium molecule and three potassium molecules.