Ca2AuN 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 L-shaped geometry to six equivalent Au(1) and two equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent N(1) atoms. Au(1) is bonded in a 9-coordinate geometry to one Ca(2), six equivalent Ca(1), and two equivalent Au(1) atoms. N(1) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form a mixture of edge and corner-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 19°.
Ca2AuN 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 L-shaped geometry to six equivalent Au(1) and two equivalent N(1) atoms. There are two shorter (3.16 Å) and four longer (3.25 Å) Ca(1)-Au(1) bond lengths. Both Ca(1)-N(1) bond lengths are 2.40 Å. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent N(1) atoms. The Ca(2)-Au(1) bond length is 3.18 Å. There are two shorter (2.42 Å) and two longer (2.50 Å) Ca(2)-N(1) bond lengths. Au(1) is bonded in a 9-coordinate geometry to one Ca(2), six equivalent Ca(1), and two equivalent Au(1) atoms. Both Au(1)-Au(1) bond lengths are 2.86 Å. N(1) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form a mixture of edge and corner-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 19°.