SrTiN2 crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. Ti(1) is bonded in a 5-coordinate geometry to one N(1) and four equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to five equivalent Sr(1) and one Ti(1) atom to form distorted NSr5Ti octahedra that share corners with four equivalent N(1)Sr5Ti octahedra, corners with four equivalent N(2)Ti4 trigonal pyramids, and edges with eight equivalent N(1)Sr5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the second N site, N(2) is bonded to four equivalent Ti(1) atoms to form distorted NTi4 trigonal pyramids that share corners with four equivalent N(1)Sr5Ti octahedra, corners with four equivalent N(2)Ti4 trigonal pyramids, and edges with four equivalent N(2)Ti4 trigonal pyramids. The corner-sharing octahedral tilt angles are 71°.
SrTiN2 crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. There is one shorter (2.60 Å) and four longer (2.75 Å) Sr(1)-N(1) bond lengths. Ti(1) is bonded in a 5-coordinate geometry to one N(1) and four equivalent N(2) atoms. The Ti(1)-N(1) bond length is 1.83 Å. All Ti(1)-N(2) bond lengths are 2.06 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to five equivalent Sr(1) and one Ti(1) atom to form distorted NSr5Ti octahedra that share corners with four equivalent N(1)Sr5Ti octahedra, corners with four equivalent N(2)Ti4 trigonal pyramids, and edges with eight equivalent N(1)Sr5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the second N site, N(2) is bonded to four equivalent Ti(1) atoms to form distorted NTi4 trigonal pyramids that share corners with four equivalent N(1)Sr5Ti octahedra, corners with four equivalent N(2)Ti4 trigonal pyramids, and edges with four equivalent N(2)Ti4 trigonal pyramids. The corner-sharing octahedral tilt angles are 71°.