Mn3Bi crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to four equivalent Mn(2) and two equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), one Bi(1), and two equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Mn(2) and four equivalent Mn(1) atoms. In the second Bi site, Bi(2) is bonded in a 14-coordinate geometry to twelve equivalent Mn(2) and two equivalent Bi(2) atoms.
Mn3Bi crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to four equivalent Mn(2) and two equivalent Bi(1) atoms. There are two shorter (2.81 Å) and two longer (2.95 Å) Mn(1)-Mn(2) bond lengths. Both Mn(1)-Bi(1) bond lengths are 2.90 Å. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), one Bi(1), and two equivalent Bi(2) atoms. There are two shorter (2.68 Å) and two longer (3.10 Å) Mn(2)-Mn(2) bond lengths. The Mn(2)-Bi(1) bond length is 2.79 Å. There is one shorter (3.02 Å) and one longer (3.15 Å) Mn(2)-Bi(2) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Mn(2) and four equivalent Mn(1) atoms. In the second Bi site, Bi(2) is bonded in a 14-coordinate geometry to twelve equivalent Mn(2) and two equivalent Bi(2) atoms. Both Bi(2)-Bi(2) bond lengths are 3.10 Å.