Sr3CaO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ca(1) is bonded to six equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and edges with twelve equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Sr(1) atoms to form OSr6 octahedra that share corners with six equivalent O(1)Sr6 octahedra and edges with twelve equivalent O(2)Sr4Ca2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ca(1) atoms to form OSr4Ca2 octahedra that share corners with six equivalent O(2)Sr4Ca2 octahedra, edges with four equivalent O(1)Sr6 octahedra, and edges with eight equivalent O(2)Sr4Ca2 octahedra. The corner-sharing octahedra are not tilted.
Sr3CaO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Sr(1)-O(1) bond lengths are 2.56 Å. All Sr(1)-O(2) bond lengths are 2.56 Å. Ca(1) is bonded to six equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and edges with twelve equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. All Ca(1)-O(2) bond lengths are 2.56 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Sr(1) atoms to form OSr6 octahedra that share corners with six equivalent O(1)Sr6 octahedra and edges with twelve equivalent O(2)Sr4Ca2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ca(1) atoms to form OSr4Ca2 octahedra that share corners with six equivalent O(2)Sr4Ca2 octahedra, edges with four equivalent O(1)Sr6 octahedra, and edges with eight equivalent O(2)Sr4Ca2 octahedra. The corner-sharing octahedra are not tilted.