KAuI3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to three equivalent I(1), three equivalent I(2), and three equivalent I(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent I(2) and two equivalent I(3) atoms. In the second Au site, Au(2) is bonded in a distorted square co-planar geometry to two equivalent I(1) and two equivalent I(2) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to three equivalent K(1) and one Au(2) atom. In the second I site, I(2) is bonded to three equivalent K(1), one Au(1), and one Au(2) atom to form distorted corner-sharing IK3Au2 square pyramids. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to three equivalent K(1) and one Au(1) atom.
KAuI3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to three equivalent I(1), three equivalent I(2), and three equivalent I(3) atoms. There are a spread of K(1)-I(1) bond distances ranging from 3.71-3.93 Å. There are a spread of K(1)-I(2) bond distances ranging from 3.74-3.93 Å. There are a spread of K(1)-I(3) bond distances ranging from 3.67-3.81 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent I(2) and two equivalent I(3) atoms. Both Au(1)-I(2) bond lengths are 2.70 Å. Both Au(1)-I(3) bond lengths are 2.67 Å. In the second Au site, Au(2) is bonded in a distorted square co-planar geometry to two equivalent I(1) and two equivalent I(2) atoms. Both Au(2)-I(1) bond lengths are 2.60 Å. Both Au(2)-I(2) bond lengths are 3.18 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to three equivalent K(1) and one Au(2) atom. In the second I site, I(2) is bonded to three equivalent K(1), one Au(1), and one Au(2) atom to form distorted corner-sharing IK3Au2 square pyramids. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to three equivalent K(1) and one Au(1) atom.