Materials Data on KAlH6(OF3)2 by Materials Project

Abstract

K(H3O)2AlF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to two equivalent O2- and six equivalent F1- atoms. Both K–O bond lengths are 2.99 Å. All K–F bond lengths are 2.75 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.04 Å. The H–F bond length is 1.43 Å. O2- is bonded in a trigonal non-coplanar geometry to one K1+ and three equivalent H1+ atoms. F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Al3+, and one H1+ atom.