Ca2InN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one In(1) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in an L-shaped geometry to six equivalent In(1) and two equivalent N(1) atoms. In(1) is bonded in a 11-coordinate geometry to one Ca(1), six equivalent Ca(2), and four equivalent In(1) atoms. N(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 18°.
Ca2InN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one In(1) and four equivalent N(1) atoms. The Ca(1)-In(1) bond length is 3.67 Å. There are two shorter (2.41 Å) and two longer (2.52 Å) Ca(1)-N(1) bond lengths. In the second Ca site, Ca(2) is bonded in an L-shaped geometry to six equivalent In(1) and two equivalent N(1) atoms. There are four shorter (3.48 Å) and two longer (3.68 Å) Ca(2)-In(1) bond lengths. Both Ca(2)-N(1) bond lengths are 2.36 Å. In(1) is bonded in a 11-coordinate geometry to one Ca(1), six equivalent Ca(2), and four equivalent In(1) atoms. There are two shorter (2.93 Å) and two longer (3.50 Å) In(1)-In(1) bond lengths. N(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 18°.