Mn3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing MnN4 tetrahedra. In the third Mn site, Mn(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of distorted corner and edge-sharing MnN4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one N(2) atom. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one N(5) atom. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Bi(1) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Bi(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth N site, N(5) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Bi(2) atom.
Mn3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing MnN4 tetrahedra. The Mn(1)-N(1) bond length is 1.87 Å. The Mn(1)-N(5) bond length is 1.74 Å. There is one shorter (1.85 Å) and one longer (1.88 Å) Mn(1)-N(3) bond length. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing MnN4 tetrahedra. The Mn(2)-N(1) bond length is 1.92 Å. The Mn(2)-N(2) bond length is 1.78 Å. There is one shorter (1.83 Å) and one longer (1.89 Å) Mn(2)-N(4) bond length. In the third Mn site, Mn(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of distorted corner and edge-sharing MnN4 tetrahedra. The Mn(3)-N(1) bond length is 1.85 Å. The Mn(3)-N(2) bond length is 1.79 Å. The Mn(3)-N(4) bond length is 1.96 Å. The Mn(3)-N(5) bond length is 1.83 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one N(2) atom. The Bi(1)-N(2) bond length is 2.32 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one N(5) atom. The Bi(2)-N(5) bond length is 2.39 Å. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to two equivalent N(3) atoms. There is one shorter (2.35 Å) and one longer (2.43 Å) Bi(3)-N(3) bond length. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Bi(1) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Bi(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth N site, N(5) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Bi(2) atom.