Sr5(BiO4)3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O6 octahedra, faces with two equivalent Bi(1)O6 octahedra, faces with two equivalent Bi(2)O6 octahedra, and faces with two equivalent Bi(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SrO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Sr(2)O6 octahedra, corners with four equivalent Bi(3)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra, corners with four equivalent Sr(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Bi site, Bi(3) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), four equivalent Sr(1), and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Bi(2), and one Bi(3) atom to form distorted OSr4Bi2 octahedra that share corners with six equivalent O(2)Sr4Bi2 octahedra, corners with eight equivalent O(3)Sr5Bi octahedra, and faces with four equivalent O(3)Sr5Bi octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to one Sr(2), four equivalent Sr(1), and one Bi(2) atom to form distorted OSr5Bi octahedra that share corners with two equivalent O(3)Sr5Bi octahedra, corners with four equivalent O(2)Sr4Bi2 octahedra, edges with two equivalent O(3)Sr5Bi octahedra, faces with two equivalent O(2)Sr4Bi2 octahedra, and faces with four equivalent O(3)Sr5Bi octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Bi(1), and one Bi(3) atom.
Sr5(BiO4)3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O6 octahedra, faces with two equivalent Bi(1)O6 octahedra, faces with two equivalent Bi(2)O6 octahedra, and faces with two equivalent Bi(3)O6 octahedra. Both Sr(1)-O(1) bond lengths are 3.10 Å. Both Sr(1)-O(2) bond lengths are 3.09 Å. All Sr(1)-O(3) bond lengths are 3.01 Å. All Sr(1)-O(4) bond lengths are 3.17 Å. In the second Sr site, Sr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SrO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Sr(2)-O(1) bond lengths are 2.31 Å. All Sr(2)-O(3) bond lengths are 2.30 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Sr(2)O6 octahedra, corners with four equivalent Bi(3)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Bi(1)-O(1) bond lengths are 2.06 Å. All Bi(1)-O(4) bond lengths are 2.18 Å. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra, corners with four equivalent Sr(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Bi(2)-O(2) bond lengths are 2.18 Å. All Bi(2)-O(3) bond lengths are 2.07 Å. In the third Bi site, Bi(3) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Bi(3)-O(2) bond lengths are 2.19 Å. All Bi(3)-O(4) bond lengths are 2.19 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), four equivalent Sr(1), and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Bi(2), and one Bi(3) atom to form distorted OSr4Bi2 octahedra that share corners with six equivalent O(2)Sr4Bi2 octahedra, corners with eight equivalent O(3)Sr5Bi octahedra, and faces with four equivalent O(3)Sr5Bi octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to one Sr(2), four equivalent Sr(1), and one Bi(2) atom to form distorted OSr5Bi octahedra that share corners with two equivalent O(3)Sr5Bi octahedra, corners with four equivalent O(2)Sr4Bi2 octahedra, edges with two equivalent O(3)Sr5Bi octahedra, faces with two equivalent O(2)Sr4Bi2 octahedra, and faces with four equivalent O(3)Sr5Bi octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Bi(1), and one Bi(3) atom.