BaCa3(CuN2)2 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the third Ca site, Ca(3) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(3) and one N(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one N(1) and one N(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing NBaCa3Cu trigonal bipyramids. In the second N site, N(2) is bonded to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing NBaCa3Cu trigonal bipyramids. In the third N site, N(3) is bonded to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NBaCa3Cu trigonal bipyramids. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(1) atom.
BaCa3(CuN2)2 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ba(1)-N(1) bond length is 2.86 Å. The Ba(1)-N(2) bond length is 2.82 Å. The Ba(1)-N(3) bond length is 2.77 Å. The Ba(1)-N(4) bond length is 3.04 Å. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ca(1)-N(1) bond length is 2.40 Å. The Ca(1)-N(2) bond length is 2.33 Å. The Ca(1)-N(3) bond length is 2.51 Å. The Ca(1)-N(4) bond length is 2.56 Å. In the second Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ca(2)-N(1) bond length is 2.51 Å. The Ca(2)-N(2) bond length is 2.40 Å. The Ca(2)-N(3) bond length is 2.45 Å. The Ca(2)-N(4) bond length is 2.40 Å. In the third Ca site, Ca(3) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ca(3)-N(1) bond length is 2.37 Å. The Ca(3)-N(2) bond length is 2.43 Å. The Ca(3)-N(3) bond length is 2.38 Å. The Ca(3)-N(4) bond length is 2.40 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(3) and one N(4) atom. The Cu(1)-N(3) bond length is 1.80 Å. The Cu(1)-N(4) bond length is 1.78 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one N(1) and one N(2) atom. The Cu(2)-N(1) bond length is 1.81 Å. The Cu(2)-N(2) bond length is 1.81 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing NBaCa3Cu trigonal bipyramids. In the second N site, N(2) is bonded to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing NBaCa3Cu trigonal bipyramids. In the third N site, N(3) is bonded to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NBaCa3Cu trigonal bipyramids. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ca(1), one Ca(2), one Ca(3), and one Cu(1) atom.