LiMgH3 is Calcite structured and crystallizes in the trigonal R3c space group. Li(1) is bonded to six equivalent H(1) atoms to form distorted LiH6 octahedra that share corners with three equivalent Mg(1)H6 octahedra, corners with six equivalent Li(1)H6 octahedra, edges with three equivalent Mg(1)H6 octahedra, and  a faceface with one Mg(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. Mg(1) is bonded to six equivalent H(1) atoms to form MgH6 octahedra that share corners with three equivalent Li(1)H6 octahedra, corners with six equivalent Mg(1)H6 octahedra, edges with three equivalent Li(1)H6 octahedra, and  a faceface with one Li(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. H(1) is bonded to two equivalent Li(1) and two equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing HLi2Mg2 trigonal pyramids.
LiMgH3 is Calcite structured and crystallizes in the trigonal R3c space group. Li(1) is bonded to six equivalent H(1) atoms to form distorted LiH6 octahedra that share corners with three equivalent Mg(1)H6 octahedra, corners with six equivalent Li(1)H6 octahedra, edges with three equivalent Mg(1)H6 octahedra, and  a faceface with one Mg(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are three shorter (1.92 Å) and three longer (2.06 Å) Li(1)-H(1) bond lengths. Mg(1) is bonded to six equivalent H(1) atoms to form MgH6 octahedra that share corners with three equivalent Li(1)H6 octahedra, corners with six equivalent Mg(1)H6 octahedra, edges with three equivalent Li(1)H6 octahedra, and  a faceface with one Li(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. There are three shorter (1.91 Å) and three longer (1.99 Å) Mg(1)-H(1) bond lengths. H(1) is bonded to two equivalent Li(1) and two equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing HLi2Mg2 trigonal pyramids.