Sr5Cd2Sb5F crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sb(3), four equivalent Sb(1), and two equivalent F(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to four equivalent Cd(1), two equivalent Sb(2), and four equivalent Sb(1) atoms. In the third Sr site, Sr(3) is bonded in a distorted single-bond geometry to two equivalent Sb(2), three equivalent Sb(3), and one F(1) atom. In the fourth Sr site, Sr(4) is bonded to two equivalent Sb(3) and four equivalent Sb(1) atoms to form edge-sharing SrSb6 octahedra. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Sr(2), four equivalent Sr(3), and two equivalent Cd(1) atoms. In the second Sb site, Sb(3) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(4), three equivalent Sr(3), and two equivalent Cd(1) atoms. In the third Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(4), one Cd(1), and one Sb(1) atom. F(1) is bonded to two equivalent Sr(1) and two equivalent Sr(3) atoms to form corner-sharing FSr4 tetrahedra.
Sr5Cd2Sb5F crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sb(3), four equivalent Sb(1), and two equivalent F(1) atoms. Both Sr(1)-Sb(3) bond lengths are 3.60 Å. All Sr(1)-Sb(1) bond lengths are 3.65 Å. Both Sr(1)-F(1) bond lengths are 2.71 Å. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to four equivalent Cd(1), two equivalent Sb(2), and four equivalent Sb(1) atoms. All Sr(2)-Cd(1) bond lengths are 3.51 Å. Both Sr(2)-Sb(2) bond lengths are 3.43 Å. All Sr(2)-Sb(1) bond lengths are 3.48 Å. In the third Sr site, Sr(3) is bonded in a distorted single-bond geometry to two equivalent Sb(2), three equivalent Sb(3), and one F(1) atom. Both Sr(3)-Sb(2) bond lengths are 3.41 Å. There are two shorter (3.34 Å) and one longer (3.45 Å) Sr(3)-Sb(3) bond length. The Sr(3)-F(1) bond length is 2.54 Å. In the fourth Sr site, Sr(4) is bonded to two equivalent Sb(3) and four equivalent Sb(1) atoms to form edge-sharing SrSb6 octahedra. Both Sr(4)-Sb(3) bond lengths are 3.36 Å. All Sr(4)-Sb(1) bond lengths are 3.33 Å. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. The Cd(1)-Sb(1) bond length is 3.01 Å. The Cd(1)-Sb(2) bond length is 2.97 Å. Both Cd(1)-Sb(3) bond lengths are 2.90 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Sr(2), four equivalent Sr(3), and two equivalent Cd(1) atoms. In the second Sb site, Sb(3) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(4), three equivalent Sr(3), and two equivalent Cd(1) atoms. In the third Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(4), one Cd(1), and one Sb(1) atom. The Sb(1)-Sb(1) bond length is 2.86 Å. F(1) is bonded to two equivalent Sr(1) and two equivalent Sr(3) atoms to form corner-sharing FSr4 tetrahedra.