Ba6In2NF is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a linear geometry to four equivalent In(1), one N(1), and one F(1) atom. In(1) is bonded to twelve equivalent Ba(1) atoms to form InBa12 cuboctahedra that share corners with twelve equivalent In(1)Ba12 cuboctahedra, faces with six equivalent In(1)Ba12 cuboctahedra, faces with four equivalent N(1)Ba6 octahedra, and faces with four equivalent F(1)Ba6 octahedra. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent F(1)Ba6 octahedra and faces with eight equivalent In(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to six equivalent Ba(1) atoms to form FBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra and faces with eight equivalent In(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ba6In2NF is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a linear geometry to four equivalent In(1), one N(1), and one F(1) atom. All Ba(1)-In(1) bond lengths are 3.99 Å. The Ba(1)-N(1) bond length is 2.72 Å. The Ba(1)-F(1) bond length is 2.91 Å. In(1) is bonded to twelve equivalent Ba(1) atoms to form InBa12 cuboctahedra that share corners with twelve equivalent In(1)Ba12 cuboctahedra, faces with six equivalent In(1)Ba12 cuboctahedra, faces with four equivalent N(1)Ba6 octahedra, and faces with four equivalent F(1)Ba6 octahedra. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent F(1)Ba6 octahedra and faces with eight equivalent In(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to six equivalent Ba(1) atoms to form FBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra and faces with eight equivalent In(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted.