Ga4Bi3N crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form corner-sharing GaBi4 tetrahedra. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Bi(2), two equivalent Bi(1), and one N(1) atom. In the third Ga site, Ga(3) is bonded in a 2-coordinate geometry to two equivalent Bi(1) and two equivalent N(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Ga(1), one Ga(3), and two equivalent Ga(2) atoms to form BiGa4 trigonal pyramids that share corners with four equivalent Bi(2)Ga4 tetrahedra, corners with four equivalent N(1)Ga4 tetrahedra, and corners with four equivalent Bi(1)Ga4 trigonal pyramids. In the second Bi site, Bi(2) is bonded to two equivalent Ga(1) and two equivalent Ga(2) atoms to form distorted BiGa4 tetrahedra that share corners with two equivalent Bi(2)Ga4 tetrahedra, corners with two equivalent N(1)Ga4 tetrahedra, and corners with eight equivalent Bi(1)Ga4 trigonal pyramids. N(1) is bonded to two equivalent Ga(2) and two equivalent Ga(3) atoms to form NGa4 tetrahedra that share corners with two equivalent Bi(2)Ga4 tetrahedra, corners with two equivalent N(1)Ga4 tetrahedra, and corners with eight equivalent Bi(1)Ga4 trigonal pyramids.
Ga4Bi3N crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form corner-sharing GaBi4 tetrahedra. Both Ga(1)-Bi(1) bond lengths are 2.70 Å. Both Ga(1)-Bi(2) bond lengths are 2.76 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Bi(2), two equivalent Bi(1), and one N(1) atom. The Ga(2)-Bi(2) bond length is 2.95 Å. Both Ga(2)-Bi(1) bond lengths are 2.78 Å. The Ga(2)-N(1) bond length is 1.99 Å. In the third Ga site, Ga(3) is bonded in a 2-coordinate geometry to two equivalent Bi(1) and two equivalent N(1) atoms. Both Ga(3)-Bi(1) bond lengths are 2.99 Å. Both Ga(3)-N(1) bond lengths are 2.29 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Ga(1), one Ga(3), and two equivalent Ga(2) atoms to form BiGa4 trigonal pyramids that share corners with four equivalent Bi(2)Ga4 tetrahedra, corners with four equivalent N(1)Ga4 tetrahedra, and corners with four equivalent Bi(1)Ga4 trigonal pyramids. In the second Bi site, Bi(2) is bonded to two equivalent Ga(1) and two equivalent Ga(2) atoms to form distorted BiGa4 tetrahedra that share corners with two equivalent Bi(2)Ga4 tetrahedra, corners with two equivalent N(1)Ga4 tetrahedra, and corners with eight equivalent Bi(1)Ga4 trigonal pyramids. N(1) is bonded to two equivalent Ga(2) and two equivalent Ga(3) atoms to form NGa4 tetrahedra that share corners with two equivalent Bi(2)Ga4 tetrahedra, corners with two equivalent N(1)Ga4 tetrahedra, and corners with eight equivalent Bi(1)Ga4 trigonal pyramids.