KSr2(BiO3)3 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Bi(2)O6 octahedra, and faces with six equivalent Bi(1)O6 octahedra. Sr(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Bi(2)O6 octahedra, and faces with five equivalent Bi(1)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, faces with three equivalent K(1)O12 cuboctahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Bi site, Bi(2) is bonded to six equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent Sr(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one K(1), three equivalent Sr(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner, face, and edge-sharing OKSr3Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
KSr2(BiO3)3 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Bi(2)O6 octahedra, and faces with six equivalent Bi(1)O6 octahedra. All K(1)-O(1) bond lengths are 3.06 Å. All K(1)-O(2) bond lengths are 3.24 Å. Sr(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Bi(2)O6 octahedra, and faces with five equivalent Bi(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 3.26 Å. There are three shorter (2.73 Å) and six longer (3.06 Å) Sr(1)-O(2) bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, faces with three equivalent K(1)O12 cuboctahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. All Bi(1)-O(1) bond lengths are 2.14 Å. All Bi(1)-O(2) bond lengths are 2.23 Å. In the second Bi site, Bi(2) is bonded to six equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. All Bi(2)-O(2) bond lengths are 2.16 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent Sr(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one K(1), three equivalent Sr(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner, face, and edge-sharing OKSr3Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.