Sr3BCNCl2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent C(1), one N(1), one Cl(2), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent B(1), two equivalent C(1), one Cl(2), and three equivalent Cl(1) atoms. In the third Sr site, Sr(3) is bonded to one C(1), two equivalent N(1), and three equivalent Cl(2) atoms to form distorted edge-sharing SrCN2Cl3 octahedra. B(1) is bonded in a distorted linear geometry to two equivalent Sr(2), one C(1), and one N(1) atom. C(1) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one B(1) atom. N(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(3), and one B(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Sr(1) and three equivalent Sr(2) atoms to form a mixture of corner and edge-sharing ClSr5 trigonal bipyramids. In the second Cl site, Cl(2) is bonded to one Sr(1), one Sr(2), and three equivalent Sr(3) atoms to form a mixture of corner and edge-sharing ClSr5 trigonal bipyramids.
Sr3BCNCl2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent C(1), one N(1), one Cl(2), and two equivalent Cl(1) atoms. Both Sr(1)-C(1) bond lengths are 2.73 Å. The Sr(1)-N(1) bond length is 2.54 Å. The Sr(1)-Cl(2) bond length is 3.24 Å. Both Sr(1)-Cl(1) bond lengths are 3.01 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent B(1), two equivalent C(1), one Cl(2), and three equivalent Cl(1) atoms. Both Sr(2)-B(1) bond lengths are 2.79 Å. Both Sr(2)-C(1) bond lengths are 2.82 Å. The Sr(2)-Cl(2) bond length is 3.21 Å. There is one shorter (3.05 Å) and two longer (3.07 Å) Sr(2)-Cl(1) bond lengths. In the third Sr site, Sr(3) is bonded to one C(1), two equivalent N(1), and three equivalent Cl(2) atoms to form distorted edge-sharing SrCN2Cl3 octahedra. The Sr(3)-C(1) bond length is 2.67 Å. Both Sr(3)-N(1) bond lengths are 2.63 Å. There are two shorter (3.10 Å) and one longer (3.16 Å) Sr(3)-Cl(2) bond length. B(1) is bonded in a distorted linear geometry to two equivalent Sr(2), one C(1), and one N(1) atom. The B(1)-C(1) bond length is 1.44 Å. The B(1)-N(1) bond length is 1.37 Å. C(1) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one B(1) atom. N(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(3), and one B(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Sr(1) and three equivalent Sr(2) atoms to form a mixture of corner and edge-sharing ClSr5 trigonal bipyramids. In the second Cl site, Cl(2) is bonded to one Sr(1), one Sr(2), and three equivalent Sr(3) atoms to form a mixture of corner and edge-sharing ClSr5 trigonal bipyramids.