BaC7N10 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 13-coordinate geometry to one N(2), one N(3), one N(5), one N(8), one N(9), two equivalent N(1), two equivalent N(4), two equivalent N(6), and two equivalent N(7) atoms. There are seven inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. In the second C site, C(2) is bonded to one N(2), one N(3), one N(4), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. In the third C site, C(3) is bonded to one N(4), one N(5), one N(7), and one N(8) atom to form corner-sharing CN4 tetrahedra. In the fourth C site, C(4) is bonded to one N(10), one N(2), one N(7), and one N(9) atom to form corner-sharing CN4 tetrahedra. In the fifth C site, C(5) is bonded to one N(1), one N(7), one N(8), and one N(9) atom to form corner-sharing CN4 tetrahedra. In the sixth C site, C(6) is bonded to one N(10), one N(3), one N(5), and one N(8) atom to form corner-sharing CN4 tetrahedra. In the seventh C site, C(7) is bonded to one N(10), one N(5), one N(6), and one N(9) atom to form corner-sharing CN4 tetrahedra. There are ten inequivalent N sites. In the first N site, N(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one C(4), one C(5), and one C(7) atom. In the second N site, N(10) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(7) atom. In the third N site, N(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one C(1), and one C(5) atom. In the fourth N site, N(2) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(4) atom. In the fifth N site, N(3) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(6) atom. In the sixth N site, N(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one C(2), and one C(3) atom. In the seventh N site, N(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(6), and one C(7) atom. In the eighth N site, N(6) is bonded in a trigonal planar geometry to two equivalent Ba(1), one C(1), one C(2), and one C(7) atom. In the ninth N site, N(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one C(3), one C(4), and one C(5) atom. In the tenth N site, N(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(5), and one C(6) atom.
BaC7N10 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 13-coordinate geometry to one N(2), one N(3), one N(5), one N(8), one N(9), two equivalent N(1), two equivalent N(4), two equivalent N(6), and two equivalent N(7) atoms. The Ba(1)-N(2) bond length is 2.80 Å. The Ba(1)-N(3) bond length is 2.72 Å. The Ba(1)-N(5) bond length is 2.88 Å. The Ba(1)-N(8) bond length is 2.80 Å. The Ba(1)-N(9) bond length is 2.78 Å. There is one shorter (2.66 Å) and one longer (2.71 Å) Ba(1)-N(1) bond length. There is one shorter (2.66 Å) and one longer (2.76 Å) Ba(1)-N(4) bond length. There is one shorter (2.90 Å) and one longer (3.02 Å) Ba(1)-N(6) bond length. There is one shorter (2.81 Å) and one longer (3.01 Å) Ba(1)-N(7) bond length. There are seven inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. The C(1)-N(1) bond length is 1.42 Å. The C(1)-N(2) bond length is 1.48 Å. The C(1)-N(3) bond length is 1.53 Å. The C(1)-N(6) bond length is 1.47 Å. In the second C site, C(2) is bonded to one N(2), one N(3), one N(4), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. The C(2)-N(2) bond length is 1.50 Å. The C(2)-N(3) bond length is 1.51 Å. The C(2)-N(4) bond length is 1.40 Å. The C(2)-N(6) bond length is 1.49 Å. In the third C site, C(3) is bonded to one N(4), one N(5), one N(7), and one N(8) atom to form corner-sharing CN4 tetrahedra. The C(3)-N(4) bond length is 1.39 Å. The C(3)-N(5) bond length is 1.51 Å. The C(3)-N(7) bond length is 1.53 Å. The C(3)-N(8) bond length is 1.58 Å. In the fourth C site, C(4) is bonded to one N(10), one N(2), one N(7), and one N(9) atom to form corner-sharing CN4 tetrahedra. The C(4)-N(10) bond length is 1.48 Å. The C(4)-N(2) bond length is 1.46 Å. The C(4)-N(7) bond length is 1.45 Å. The C(4)-N(9) bond length is 1.48 Å. In the fifth C site, C(5) is bonded to one N(1), one N(7), one N(8), and one N(9) atom to form corner-sharing CN4 tetrahedra. The C(5)-N(1) bond length is 1.36 Å. The C(5)-N(7) bond length is 1.69 Å. The C(5)-N(8) bond length is 1.53 Å. The C(5)-N(9) bond length is 1.50 Å. In the sixth C site, C(6) is bonded to one N(10), one N(3), one N(5), and one N(8) atom to form corner-sharing CN4 tetrahedra. The C(6)-N(10) bond length is 1.46 Å. The C(6)-N(3) bond length is 1.45 Å. The C(6)-N(5) bond length is 1.48 Å. The C(6)-N(8) bond length is 1.48 Å. In the seventh C site, C(7) is bonded to one N(10), one N(5), one N(6), and one N(9) atom to form corner-sharing CN4 tetrahedra. The C(7)-N(10) bond length is 1.46 Å. The C(7)-N(5) bond length is 1.48 Å. The C(7)-N(6) bond length is 1.52 Å. The C(7)-N(9) bond length is 1.46 Å. There are ten inequivalent N sites. In the first N site, N(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one C(4), one C(5), and one C(7) atom. In the second N site, N(10) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(7) atom. In the third N site, N(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one C(1), and one C(5) atom. In the fourth N site, N(2) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(4) atom. In the fifth N site, N(3) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(6) atom. In the sixth N site, N(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one C(2), and one C(3) atom. In the seventh N site, N(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(6), and one C(7) atom. In the eighth N site, N(6) is bonded in a trigonal planar geometry to two equivalent Ba(1), one C(1), one C(2), and one C(7) atom. In the ninth N site, N(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one C(3), one C(4), and one C(5) atom. In the tenth N site, N(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(5), and one C(6) atom.