Mg2BN2Cl crystallizes in the orthorhombic Pbca space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), and three equivalent Cl(1) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent Cl(1) atoms. B(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mg(2), two equivalent Mg(1), and one B(1) atom to form a mixture of distorted edge and corner-sharing NMg3B tetrahedra. In the second N site, N(2) is bonded to one Mg(1), two equivalent Mg(2), and one B(1) atom to form corner-sharing NMg3B tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to two equivalent Mg(2) and three equivalent Mg(1) atoms.
Mg2BN2Cl crystallizes in the orthorhombic Pbca space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), and three equivalent Cl(1) atoms. The Mg(1)-N(2) bond length is 2.12 Å. There is one shorter (2.10 Å) and one longer (2.18 Å) Mg(1)-N(1) bond length. There are a spread of Mg(1)-Cl(1) bond distances ranging from 2.59-3.03 Å. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent Cl(1) atoms. The Mg(2)-N(1) bond length is 2.05 Å. Both Mg(2)-N(2) bond lengths are 2.09 Å. There is one shorter (2.65 Å) and one longer (2.98 Å) Mg(2)-Cl(1) bond length. B(1) is bonded in a linear geometry to one N(1) and one N(2) atom. The B(1)-N(1) bond length is 1.34 Å. The B(1)-N(2) bond length is 1.34 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mg(2), two equivalent Mg(1), and one B(1) atom to form a mixture of distorted edge and corner-sharing NMg3B tetrahedra. In the second N site, N(2) is bonded to one Mg(1), two equivalent Mg(2), and one B(1) atom to form corner-sharing NMg3B tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to two equivalent Mg(2) and three equivalent Mg(1) atoms.