LiLa2HO3 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing LiH2O4 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a 9-coordinate geometry to two equivalent H(1), two equivalent O(1), and five equivalent O(2) atoms. H(1) is bonded in a distorted linear geometry to two equivalent Li(1) and four equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent La(1) atoms to form distorted OLi2La4 octahedra that share corners with two equivalent O(1)Li2La4 octahedra, corners with twelve equivalent O(2)LiLa5 octahedra, edges with two equivalent O(1)Li2La4 octahedra, and faces with four equivalent O(2)LiLa5 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to one Li(1) and five equivalent La(1) atoms to form distorted OLiLa5 octahedra that share corners with five equivalent O(2)LiLa5 octahedra, corners with six equivalent O(1)Li2La4 octahedra, edges with eight equivalent O(2)LiLa5 octahedra, and faces with two equivalent O(1)Li2La4 octahedra. The corner-sharing octahedral tilt angles range from 0-52°.
LiLa2HO3 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing LiH2O4 octahedra. The corner-sharing octahedra are not tilted. Both Li(1)-H(1) bond lengths are 1.79 Å. Both Li(1)-O(1) bond lengths are 1.90 Å. Both Li(1)-O(2) bond lengths are 2.29 Å. La(1) is bonded in a 9-coordinate geometry to two equivalent H(1), two equivalent O(1), and five equivalent O(2) atoms. Both La(1)-H(1) bond lengths are 2.59 Å. Both La(1)-O(1) bond lengths are 2.51 Å. There is one shorter (2.41 Å) and four longer (2.66 Å) La(1)-O(2) bond lengths. H(1) is bonded in a distorted linear geometry to two equivalent Li(1) and four equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent La(1) atoms to form distorted OLi2La4 octahedra that share corners with two equivalent O(1)Li2La4 octahedra, corners with twelve equivalent O(2)LiLa5 octahedra, edges with two equivalent O(1)Li2La4 octahedra, and faces with four equivalent O(2)LiLa5 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to one Li(1) and five equivalent La(1) atoms to form distorted OLiLa5 octahedra that share corners with five equivalent O(2)LiLa5 octahedra, corners with six equivalent O(1)Li2La4 octahedra, edges with eight equivalent O(2)LiLa5 octahedra, and faces with two equivalent O(1)Li2La4 octahedra. The corner-sharing octahedral tilt angles range from 0-52°.