Materials Data on KGaSb4 by Materials Project
KGaSb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Sb1- atoms. There are two shorter (3.70 Å) and five longer (3.73 Å) K–Sb bond lengths. Ga3+ is bonded to four Sb1- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.72 Å) Ga–Sb bond lengths. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Ga3+, and one Sb1- atom. The Sb–Sb bond length is 2.87 Å. In the second Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Ga3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the third Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Ga3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.90 Å. In the fourth Sb1- site, Sb1- is bonded in a distorted T-shaped geometry to three Sb1- atoms.