Ca2VN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing VN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom.
Ca2VN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. The Ca(1)-N(1) bond length is 2.58 Å. The Ca(1)-N(2) bond length is 2.59 Å. There is one shorter (2.43 Å) and one longer (2.49 Å) Ca(1)-N(3) bond length. There is one shorter (2.52 Å) and one longer (2.55 Å) Ca(1)-N(4) bond length. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. The Ca(2)-N(1) bond length is 2.79 Å. The Ca(2)-N(2) bond length is 2.79 Å. There is one shorter (2.48 Å) and one longer (2.68 Å) Ca(2)-N(3) bond length. There is one shorter (2.45 Å) and one longer (2.49 Å) Ca(2)-N(4) bond length. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing VN4 tetrahedra. The V(1)-N(1) bond length is 1.87 Å. The V(1)-N(2) bond length is 1.84 Å. The V(1)-N(3) bond length is 1.78 Å. The V(1)-N(4) bond length is 1.75 Å. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom.