K2ZnBr4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted KBr7 pentagonal bipyramids that share corners with two equivalent K(1)Br7 pentagonal bipyramids, corners with three equivalent Zn(1)Br4 tetrahedra, edges with two equivalent K(1)Br7 pentagonal bipyramids, and edges with two equivalent Zn(1)Br4 tetrahedra. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Br(2), two equivalent Br(1), two equivalent Br(3), and two equivalent Br(4) atoms. Zn(1) is bonded to one Br(1), one Br(2), one Br(3), and one Br(4) atom to form ZnBr4 tetrahedra that share corners with three equivalent K(1)Br7 pentagonal bipyramids and edges with two equivalent K(1)Br7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Zn(1) atom. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to one K(2), two equivalent K(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded to two equivalent K(1), two equivalent K(2), and one Zn(1) atom to form a mixture of distorted corner, edge, and face-sharing BrK4Zn square pyramids. In the fourth Br site, Br(4) is bonded to two equivalent K(1), two equivalent K(2), and one Zn(1) atom to form a mixture of distorted corner, edge, and face-sharing BrK4Zn square pyramids.
K2ZnBr4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted KBr7 pentagonal bipyramids that share corners with two equivalent K(1)Br7 pentagonal bipyramids, corners with three equivalent Zn(1)Br4 tetrahedra, edges with two equivalent K(1)Br7 pentagonal bipyramids, and edges with two equivalent Zn(1)Br4 tetrahedra. The K(1)-Br(1) bond length is 3.38 Å. There is one shorter (3.32 Å) and one longer (3.58 Å) K(1)-Br(2) bond length. There is one shorter (3.39 Å) and one longer (3.43 Å) K(1)-Br(3) bond length. There is one shorter (3.38 Å) and one longer (3.44 Å) K(1)-Br(4) bond length. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Br(2), two equivalent Br(1), two equivalent Br(3), and two equivalent Br(4) atoms. The K(2)-Br(2) bond length is 3.27 Å. There is one shorter (3.36 Å) and one longer (3.68 Å) K(2)-Br(1) bond length. There is one shorter (3.33 Å) and one longer (3.42 Å) K(2)-Br(3) bond length. There is one shorter (3.32 Å) and one longer (3.43 Å) K(2)-Br(4) bond length. Zn(1) is bonded to one Br(1), one Br(2), one Br(3), and one Br(4) atom to form ZnBr4 tetrahedra that share corners with three equivalent K(1)Br7 pentagonal bipyramids and edges with two equivalent K(1)Br7 pentagonal bipyramids. The Zn(1)-Br(1) bond length is 2.41 Å. The Zn(1)-Br(2) bond length is 2.40 Å. The Zn(1)-Br(3) bond length is 2.42 Å. The Zn(1)-Br(4) bond length is 2.42 Å. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Zn(1) atom. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to one K(2), two equivalent K(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded to two equivalent K(1), two equivalent K(2), and one Zn(1) atom to form a mixture of distorted corner, edge, and face-sharing BrK4Zn square pyramids. In the fourth Br site, Br(4) is bonded to two equivalent K(1), two equivalent K(2), and one Zn(1) atom to form a mixture of distorted corner, edge, and face-sharing BrK4Zn square pyramids.