BaSrPd(OF)2 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent F(1) atoms. Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent F(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Pd(1) atoms to form distorted OBa2Sr2Pd2 octahedra that share corners with two equivalent O(1)Ba2Sr2Pd2 octahedra, corners with twelve equivalent F(1)Ba2Sr2 tetrahedra, edges with two equivalent O(1)Ba2Sr2Pd2 octahedra, edges with two equivalent F(1)Ba2Sr2 tetrahedra, and faces with four equivalent O(1)Ba2Sr2Pd2 octahedra. The corner-sharing octahedral tilt angles are 14°. F(1) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form FBa2Sr2 tetrahedra that share corners with twelve equivalent O(1)Ba2Sr2Pd2 octahedra, corners with four equivalent F(1)Ba2Sr2 tetrahedra, edges with two equivalent O(1)Ba2Sr2Pd2 octahedra, and edges with four equivalent F(1)Ba2Sr2 tetrahedra. The corner-sharing octahedral tilt angles range from 4-69°.
BaSrPd(OF)2 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent F(1) atoms. All Ba(1)-O(1) bond lengths are 2.92 Å. All Ba(1)-F(1) bond lengths are 2.66 Å. Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent F(1) atoms. All Sr(1)-O(1) bond lengths are 2.67 Å. All Sr(1)-F(1) bond lengths are 2.53 Å. Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Pd(1)-O(1) bond lengths are 2.09 Å. O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Pd(1) atoms to form distorted OBa2Sr2Pd2 octahedra that share corners with two equivalent O(1)Ba2Sr2Pd2 octahedra, corners with twelve equivalent F(1)Ba2Sr2 tetrahedra, edges with two equivalent O(1)Ba2Sr2Pd2 octahedra, edges with two equivalent F(1)Ba2Sr2 tetrahedra, and faces with four equivalent O(1)Ba2Sr2Pd2 octahedra. The corner-sharing octahedral tilt angles are 14°. F(1) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form FBa2Sr2 tetrahedra that share corners with twelve equivalent O(1)Ba2Sr2Pd2 octahedra, corners with four equivalent F(1)Ba2Sr2 tetrahedra, edges with two equivalent O(1)Ba2Sr2Pd2 octahedra, and edges with four equivalent F(1)Ba2Sr2 tetrahedra. The corner-sharing octahedral tilt angles range from 4-69°.