K2LiTaF6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Li(1)F6 octahedra, and faces with four equivalent Ta(1)F6 octahedra. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Ta(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Ta(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TaF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Li(1), and one Ta(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Li(1), and one Ta(1) atom.
K2LiTaF6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Li(1)F6 octahedra, and faces with four equivalent Ta(1)F6 octahedra. There are two shorter (2.83 Å) and two longer (3.12 Å) K(1)-F(2) bond lengths. There are four shorter (2.85 Å) and four longer (3.08 Å) K(1)-F(1) bond lengths. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Ta(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Both Li(1)-F(2) bond lengths are 2.09 Å. All Li(1)-F(1) bond lengths are 2.12 Å. Ta(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TaF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Both Ta(1)-F(2) bond lengths are 2.07 Å. All Ta(1)-F(1) bond lengths are 2.10 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Li(1), and one Ta(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Li(1), and one Ta(1) atom.