LiAgF3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. Ag(1) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(3), and three equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), and two equivalent Ag(1) atoms to form distorted corner-sharing FLi2Ag2 trigonal pyramids. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and three equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Ag(1) atoms.
LiAgF3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. Both Li(1)-F(1) bond lengths are 2.21 Å. Both Li(1)-F(2) bond lengths are 2.05 Å. Both Li(1)-F(3) bond lengths are 2.04 Å. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. Both Li(2)-F(1) bond lengths are 2.21 Å. Both Li(2)-F(2) bond lengths are 2.05 Å. Both Li(2)-F(3) bond lengths are 2.06 Å. Ag(1) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(3), and three equivalent F(2) atoms. There is one shorter (2.19 Å) and one longer (2.20 Å) Ag(1)-F(1) bond length. There is one shorter (2.14 Å) and one longer (2.62 Å) Ag(1)-F(3) bond length. There are a spread of Ag(1)-F(2) bond distances ranging from 2.16-2.66 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), and two equivalent Ag(1) atoms to form distorted corner-sharing FLi2Ag2 trigonal pyramids. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and three equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Ag(1) atoms.