BaCa3Si10(N2O)6 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry to one N(1), one N(10), one N(11), one N(2), one N(3), one N(5), one N(6), one N(7), two equivalent N(12), and two equivalent N(9) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one N(8), one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one N(4), one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are ten inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(10), one N(7), and one O(3) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(3)N3O tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Si(5)N3O tetrahedra, and corners with two equivalent Si(8)N4 tetrahedra. In the second Si site, Si(2) is bonded to one N(11), one N(2), one N(8), and one O(4) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(4)N3O tetrahedra,  a cornercorner with one Si(10)N4 tetrahedra, corners with two equivalent Si(6)N3O tetrahedra, and corners with two equivalent Si(7)N4 tetrahedra. In the third Si site, Si(3) is bonded to one N(10), one N(3), one N(5), and one O(5) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(1)N3O tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, corners with two equivalent Si(5)N3O tetrahedra, and corners with two equivalent Si(9)N4 tetrahedra. In the fourth Si site, Si(4) is bonded to one N(11), one N(4), one N(6), and one O(6) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, corners with two equivalent Si(6)N3O tetrahedra, and corners with two equivalent Si(10)N4 tetrahedra. In the fifth Si site, Si(5) is bonded to one N(10), one N(3), one N(7), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Si(1)N3O tetrahedra, and corners with two equivalent Si(3)N3O tetrahedra. In the sixth Si site, Si(6) is bonded to one N(11), one N(4), one N(8), and one O(2) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(10)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(4)N3O tetrahedra. In the seventh Si site, Si(7) is bonded to one N(12), one N(2), one N(6), and one N(8) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(4)N3O tetrahedra,  a cornercorner with one Si(6)N3O tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(10)N4 tetrahedra. In the eighth Si site, Si(8) is bonded to one N(1), one N(12), one N(5), and one N(7) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(3)N3O tetrahedra,  a cornercorner with one Si(5)N3O tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, corners with two equivalent Si(1)N3O tetrahedra, and corners with two equivalent Si(9)N4 tetrahedra. In the ninth Si site, Si(9) is bonded to one N(1), one N(3), one N(5), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(1)N3O tetrahedra,  a cornercorner with one Si(5)N3O tetrahedra,  a cornercorner with one Si(10)N4 tetrahedra, corners with two equivalent Si(3)N3O tetrahedra, and corners with two equivalent Si(8)N4 tetrahedra. In the tenth Si site, Si(10) is bonded to one N(2), one N(4), one N(6), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra,  a cornercorner with one Si(6)N3O tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Si(4)N3O tetrahedra, and corners with two equivalent Si(7)N4 tetrahedra. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ba(1), one Si(1), one Si(8), and one Si(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ba(1), one Si(10), one Si(2), and one Si(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ba(1), one Si(3), one Si(5), and one Si(9) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Ca(2), one Si(10), one Si(4), and one Si(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ba(1), one Si(3), one Si(8), and one Si(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Ba(1), one Si(10), one Si(4), and one Si(7) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Ba(1), one Si(1), one Si(5), and one Si(8) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Ca(1), one Si(2), one Si(6), and one Si(7) atom. In the ninth N site, N(9) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Si(10), and one Si(9) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Ba(1), one Si(1), one Si(3), and one Si(5) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Si(2), one Si(4), and one Si(6) atom. In the twelfth N site, N(12) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Si(7), and one Si(8) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Si(5) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(3), and one Si(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), two equivalent Ca(2), and one Si(4) atom.
BaCa3Si10(N2O)6 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry to one N(1), one N(10), one N(11), one N(2), one N(3), one N(5), one N(6), one N(7), two equivalent N(12), and two equivalent N(9) atoms. The Ba(1)-N(1) bond length is 3.29 Å. The Ba(1)-N(10) bond length is 2.93 Å. The Ba(1)-N(11) bond length is 3.22 Å. The Ba(1)-N(2) bond length is 3.45 Å. The Ba(1)-N(3) bond length is 3.34 Å. The Ba(1)-N(5) bond length is 3.33 Å. The Ba(1)-N(6) bond length is 3.48 Å. The Ba(1)-N(7) bond length is 3.32 Å. There is one shorter (2.80 Å) and one longer (3.42 Å) Ba(1)-N(12) bond length. There is one shorter (2.79 Å) and one longer (3.51 Å) Ba(1)-N(9) bond length. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one N(8), one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. The Ca(1)-N(8) bond length is 2.99 Å. The Ca(1)-O(1) bond length is 2.22 Å. The Ca(1)-O(2) bond length is 2.35 Å. The Ca(1)-O(5) bond length is 2.32 Å. The Ca(1)-O(6) bond length is 2.49 Å. There is one shorter (2.55 Å) and one longer (2.65 Å) Ca(1)-O(4) bond length. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one N(4), one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms. The Ca(2)-N(4) bond length is 2.96 Å. The Ca(2)-O(1) bond length is 2.22 Å. The Ca(2)-O(2) bond length is 2.35 Å. The Ca(2)-O(3) bond length is 2.31 Å. The Ca(2)-O(4) bond length is 2.49 Å. There is one shorter (2.54 Å) and one longer (2.65 Å) Ca(2)-O(6) bond length. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. The Ca(3)-O(3) bond length is 2.21 Å. The Ca(3)-O(4) bond length is 2.54 Å. The Ca(3)-O(5) bond length is 2.21 Å. The Ca(3)-O(6) bond length is 2.55 Å. There is one shorter (2.66 Å) and one longer (2.67 Å) Ca(3)-O(2) bond length. There are ten inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(10), one N(7), and one O(3) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(3)N3O tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Si(5)N3O tetrahedra, and corners with two equivalent Si(8)N4 tetrahedra. The Si(1)-N(1) bond length is 1.75 Å. The Si(1)-N(10) bond length is 1.79 Å. The Si(1)-N(7) bond length is 1.74 Å. The Si(1)-O(3) bond length is 1.62 Å. In the second Si site, Si(2) is bonded to one N(11), one N(2), one N(8), and one O(4) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(4)N3O tetrahedra,  a cornercorner with one Si(10)N4 tetrahedra, corners with two equivalent Si(6)N3O tetrahedra, and corners with two equivalent Si(7)N4 tetrahedra. The Si(2)-N(11) bond length is 1.79 Å. The Si(2)-N(2) bond length is 1.72 Å. The Si(2)-N(8) bond length is 1.75 Å. The Si(2)-O(4) bond length is 1.65 Å. In the third Si site, Si(3) is bonded to one N(10), one N(3), one N(5), and one O(5) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(1)N3O tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, corners with two equivalent Si(5)N3O tetrahedra, and corners with two equivalent Si(9)N4 tetrahedra. The Si(3)-N(10) bond length is 1.78 Å. The Si(3)-N(3) bond length is 1.75 Å. The Si(3)-N(5) bond length is 1.76 Å. The Si(3)-O(5) bond length is 1.63 Å. In the fourth Si site, Si(4) is bonded to one N(11), one N(4), one N(6), and one O(6) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, corners with two equivalent Si(6)N3O tetrahedra, and corners with two equivalent Si(10)N4 tetrahedra. The Si(4)-N(11) bond length is 1.78 Å. The Si(4)-N(4) bond length is 1.75 Å. The Si(4)-N(6) bond length is 1.73 Å. The Si(4)-O(6) bond length is 1.65 Å. In the fifth Si site, Si(5) is bonded to one N(10), one N(3), one N(7), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Si(1)N3O tetrahedra, and corners with two equivalent Si(3)N3O tetrahedra. The Si(5)-N(10) bond length is 1.75 Å. The Si(5)-N(3) bond length is 1.74 Å. The Si(5)-N(7) bond length is 1.73 Å. The Si(5)-O(1) bond length is 1.63 Å. In the sixth Si site, Si(6) is bonded to one N(11), one N(4), one N(8), and one O(2) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(10)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(4)N3O tetrahedra. The Si(6)-N(11) bond length is 1.75 Å. The Si(6)-N(4) bond length is 1.73 Å. The Si(6)-N(8) bond length is 1.73 Å. The Si(6)-O(2) bond length is 1.65 Å. In the seventh Si site, Si(7) is bonded to one N(12), one N(2), one N(6), and one N(8) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(4)N3O tetrahedra,  a cornercorner with one Si(6)N3O tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(10)N4 tetrahedra. The Si(7)-N(12) bond length is 1.66 Å. The Si(7)-N(2) bond length is 1.77 Å. The Si(7)-N(6) bond length is 1.78 Å. The Si(7)-N(8) bond length is 1.80 Å. In the eighth Si site, Si(8) is bonded to one N(1), one N(12), one N(5), and one N(7) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(3)N3O tetrahedra,  a cornercorner with one Si(5)N3O tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, corners with two equivalent Si(1)N3O tetrahedra, and corners with two equivalent Si(9)N4 tetrahedra. The Si(8)-N(1) bond length is 1.76 Å. The Si(8)-N(12) bond length is 1.70 Å. The Si(8)-N(5) bond length is 1.77 Å. The Si(8)-N(7) bond length is 1.76 Å. In the ninth Si site, Si(9) is bonded to one N(1), one N(3), one N(5), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(1)N3O tetrahedra,  a cornercorner with one Si(5)N3O tetrahedra,  a cornercorner with one Si(10)N4 tetrahedra, corners with two equivalent Si(3)N3O tetrahedra, and corners with two equivalent Si(8)N4 tetrahedra. The Si(9)-N(1) bond length is 1.78 Å. The Si(9)-N(3) bond length is 1.76 Å. The Si(9)-N(5) bond length is 1.76 Å. The Si(9)-N(9) bond length is 1.70 Å. In the tenth Si site, Si(10) is bonded to one N(2), one N(4), one N(6), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra,  a cornercorner with one Si(6)N3O tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Si(4)N3O tetrahedra, and corners with two equivalent Si(7)N4 tetrahedra. The Si(10)-N(2) bond length is 1.78 Å. The Si(10)-N(4) bond length is 1.79 Å. The Si(10)-N(6) bond length is 1.77 Å. The Si(10)-N(9) bond length is 1.66 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ba(1), one Si(1), one Si(8), and one Si(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ba(1), one Si(10), one Si(2), and one Si(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ba(1), one Si(3), one Si(5), and one Si(9) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Ca(2), one Si(10), one Si(4), and one Si(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ba(1), one Si(3), one Si(8), and one Si(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Ba(1), one Si(10), one Si(4), and one Si(7) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Ba(1), one Si(1), one Si(5), and one Si(8) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Ca(1), one Si(2), one Si(6), and one Si(7) atom. In the ninth N site, N(9) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Si(10), and one Si(9) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Ba(1), one Si(1), one Si(3), and one Si(5) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Si(2), one Si(4), and one Si(6) atom. In the twelfth N site, N(12) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Si(7), and one Si(8) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Si(5) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(3), and one Si(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), two equivalent Ca(2), and one Si(4) atom.