KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Bi(1), two equivalent Bi(3), and three equivalent Bi(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), two equivalent Bi(2), and three equivalent Bi(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Bi(3), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(4), and three equivalent Bi(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one K(1), three equivalent K(2), three equivalent K(3), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one K(4), two equivalent K(2), three equivalent K(3), and two equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one K(2), one K(3), two equivalent K(1), three equivalent K(4), and two equivalent Bi(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to one K(2), two equivalent K(4), three equivalent K(1), and two equivalent Bi(3) atoms.
KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Bi(1), two equivalent Bi(3), and three equivalent Bi(4) atoms. The K(1)-Bi(1) bond length is 3.83 Å. There is one shorter (3.69 Å) and one longer (3.86 Å) K(1)-Bi(3) bond length. There are a spread of K(1)-Bi(4) bond distances ranging from 3.61-3.79 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), two equivalent Bi(2), and three equivalent Bi(1) atoms. The K(2)-Bi(3) bond length is 4.08 Å. The K(2)-Bi(4) bond length is 3.62 Å. There is one shorter (3.73 Å) and one longer (3.84 Å) K(2)-Bi(2) bond length. There are a spread of K(2)-Bi(1) bond distances ranging from 3.65-3.95 Å. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Bi(3), three equivalent Bi(1), and three equivalent Bi(2) atoms. The K(3)-Bi(3) bond length is 4.03 Å. There are a spread of K(3)-Bi(1) bond distances ranging from 3.74-3.99 Å. There are a spread of K(3)-Bi(2) bond distances ranging from 3.65-3.72 Å. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(4), and three equivalent Bi(3) atoms. The K(4)-Bi(2) bond length is 3.63 Å. There is one shorter (3.70 Å) and one longer (3.86 Å) K(4)-Bi(4) bond length. There are a spread of K(4)-Bi(3) bond distances ranging from 3.62-3.71 Å. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one K(1), three equivalent K(2), three equivalent K(3), and two equivalent Bi(2) atoms. There is one shorter (3.03 Å) and one longer (3.08 Å) Bi(1)-Bi(2) bond length. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one K(4), two equivalent K(2), three equivalent K(3), and two equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one K(2), one K(3), two equivalent K(1), three equivalent K(4), and two equivalent Bi(4) atoms. There is one shorter (3.04 Å) and one longer (3.05 Å) Bi(3)-Bi(4) bond length. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to one K(2), two equivalent K(4), three equivalent K(1), and two equivalent Bi(3) atoms.