BiNBa3 crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a 2-coordinate geometry to four equivalent Bi(1) and two equivalent N(1) atoms. Bi(1) is bonded to twelve equivalent Ba(1) atoms to form BiBa12 cuboctahedra that share corners with six equivalent Bi(1)Ba12 cuboctahedra, corners with six equivalent N(1)Ba6 octahedra, faces with eight equivalent Bi(1)Ba12 cuboctahedra, and faces with six equivalent N(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 17°. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Bi(1)Ba12 cuboctahedra, faces with six equivalent Bi(1)Ba12 cuboctahedra, and faces with two equivalent N(1)Ba6 octahedra.
BiNBa3 crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a 2-coordinate geometry to four equivalent Bi(1) and two equivalent N(1) atoms. There are two shorter (3.87 Å) and two longer (4.12 Å) Ba(1)-Bi(1) bond lengths. Both Ba(1)-N(1) bond lengths are 2.71 Å. Bi(1) is bonded to twelve equivalent Ba(1) atoms to form BiBa12 cuboctahedra that share corners with six equivalent Bi(1)Ba12 cuboctahedra, corners with six equivalent N(1)Ba6 octahedra, faces with eight equivalent Bi(1)Ba12 cuboctahedra, and faces with six equivalent N(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 17°. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Bi(1)Ba12 cuboctahedra, faces with six equivalent Bi(1)Ba12 cuboctahedra, and faces with two equivalent N(1)Ba6 octahedra.