LiSrAlF6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(6) atom. Sr(1) is bonded in a 9-coordinate geometry to one F(1), one F(3), one F(4), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms. Al(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), and one Al(1) atom. In the second F site, F(2) is bonded to one Li(1), two equivalent Sr(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FSr2LiAl tetrahedra. In the third F site, F(3) is bonded in a distorted water-like geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. In the sixth F site, F(6) is bonded to one Li(1), two equivalent Sr(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FSr2LiAl tetrahedra.
LiSrAlF6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(6) atom. The Li(1)-F(1) bond length is 2.45 Å. The Li(1)-F(2) bond length is 1.97 Å. The Li(1)-F(3) bond length is 1.91 Å. The Li(1)-F(4) bond length is 1.91 Å. The Li(1)-F(6) bond length is 2.00 Å. Sr(1) is bonded in a 9-coordinate geometry to one F(1), one F(3), one F(4), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms. The Sr(1)-F(1) bond length is 2.40 Å. The Sr(1)-F(3) bond length is 2.68 Å. The Sr(1)-F(4) bond length is 2.71 Å. There is one shorter (2.54 Å) and one longer (2.65 Å) Sr(1)-F(2) bond length. There is one shorter (2.54 Å) and one longer (3.00 Å) Sr(1)-F(5) bond length. There is one shorter (2.59 Å) and one longer (2.69 Å) Sr(1)-F(6) bond length. Al(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. The Al(1)-F(1) bond length is 1.79 Å. The Al(1)-F(2) bond length is 1.88 Å. The Al(1)-F(3) bond length is 1.84 Å. The Al(1)-F(4) bond length is 1.80 Å. The Al(1)-F(5) bond length is 1.82 Å. The Al(1)-F(6) bond length is 1.88 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), and one Al(1) atom. In the second F site, F(2) is bonded to one Li(1), two equivalent Sr(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FSr2LiAl tetrahedra. In the third F site, F(3) is bonded in a distorted water-like geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. In the sixth F site, F(6) is bonded to one Li(1), two equivalent Sr(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FSr2LiAl tetrahedra.