BaNiN is Potassium Silver Cyanide-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the second N site, N(2) is bonded to one Ba(1), three equivalent Ba(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°.
BaNiN is Potassium Silver Cyanide-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.78 Å) and one longer (2.81 Å) Ba(1)-N(1) bond length. Both Ba(1)-N(2) bond lengths are 2.83 Å. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. The Ba(2)-N(1) bond length is 3.03 Å. There are a spread of Ba(2)-N(2) bond distances ranging from 2.81-2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. The Ni(1)-N(1) bond length is 1.81 Å. The Ni(1)-N(2) bond length is 1.79 Å. In the second Ni site, Ni(2) is bonded in a linear geometry to two equivalent N(2) atoms. Both Ni(2)-N(2) bond lengths are 1.75 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the second N site, N(2) is bonded to one Ba(1), three equivalent Ba(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°.