CaSiN2 crystallizes in the orthorhombic Cmce space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Si(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing SiN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Si(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Si(1) atoms.
CaSiN2 crystallizes in the orthorhombic Cmce space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. There are a spread of Ca(1)-N(1) bond distances ranging from 2.34-2.87 Å. There are two shorter (2.64 Å) and two longer (2.81 Å) Ca(1)-N(2) bond lengths. Si(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing SiN4 tetrahedra. Both Si(1)-N(1) bond lengths are 1.77 Å. Both Si(1)-N(2) bond lengths are 1.73 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Si(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Si(1) atoms.