KMgH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded to twelve equivalent H(1) atoms to form KH12 cuboctahedra that share corners with twelve equivalent K(1)H12 cuboctahedra, faces with six equivalent K(1)H12 cuboctahedra, and faces with eight equivalent Mg(1)H6 octahedra. Mg(1) is bonded to six equivalent H(1) atoms to form MgH6 octahedra that share corners with six equivalent Mg(1)H6 octahedra and faces with eight equivalent K(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. H(1) is bonded to four equivalent K(1) and two equivalent Mg(1) atoms to form a mixture of distorted face, corner, and edge-sharing HK4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
KMgH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded to twelve equivalent H(1) atoms to form KH12 cuboctahedra that share corners with twelve equivalent K(1)H12 cuboctahedra, faces with six equivalent K(1)H12 cuboctahedra, and faces with eight equivalent Mg(1)H6 octahedra. All K(1)-H(1) bond lengths are 2.82 Å. Mg(1) is bonded to six equivalent H(1) atoms to form MgH6 octahedra that share corners with six equivalent Mg(1)H6 octahedra and faces with eight equivalent K(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. All Mg(1)-H(1) bond lengths are 1.99 Å. H(1) is bonded to four equivalent K(1) and two equivalent Mg(1) atoms to form a mixture of distorted face, corner, and edge-sharing HK4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.