LiSr3BiO6 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. Bi(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Sr(2), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°.
LiSr3BiO6 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.21 Å. The Li(1)-O(2) bond length is 2.52 Å. The Li(1)-O(3) bond length is 2.48 Å. The Li(1)-O(4) bond length is 2.48 Å. The Li(1)-O(5) bond length is 2.21 Å. The Li(1)-O(6) bond length is 2.52 Å. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. The Sr(1)-O(1) bond length is 2.48 Å. The Sr(1)-O(2) bond length is 2.69 Å. There is one shorter (2.69 Å) and one longer (3.00 Å) Sr(1)-O(3) bond length. Both Sr(1)-O(4) bond lengths are 2.69 Å. There is one shorter (2.48 Å) and one longer (3.01 Å) Sr(1)-O(5) bond length. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. The Sr(2)-O(4) bond length is 2.46 Å. The Sr(2)-O(5) bond length is 2.69 Å. There is one shorter (2.71 Å) and one longer (2.75 Å) Sr(2)-O(1) bond length. There is one shorter (2.46 Å) and one longer (3.03 Å) Sr(2)-O(2) bond length. There is one shorter (2.69 Å) and one longer (3.01 Å) Sr(2)-O(6) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. The Sr(3)-O(1) bond length is 3.03 Å. The Sr(3)-O(2) bond length is 2.69 Å. The Sr(3)-O(4) bond length is 3.05 Å. The Sr(3)-O(5) bond length is 2.74 Å. There is one shorter (2.47 Å) and one longer (2.68 Å) Sr(3)-O(3) bond length. There is one shorter (2.47 Å) and one longer (2.69 Å) Sr(3)-O(6) bond length. Bi(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Bi(1)-O(1) bond length is 2.14 Å. The Bi(1)-O(2) bond length is 2.13 Å. The Bi(1)-O(3) bond length is 2.14 Å. The Bi(1)-O(4) bond length is 2.13 Å. The Bi(1)-O(5) bond length is 2.14 Å. The Bi(1)-O(6) bond length is 2.13 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Sr(2), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°.