BaLa3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(2), two equivalent La(3), and one Ni(2) atom. In the second O site, O(2) is bonded to one Ba(1), two equivalent La(2), two equivalent La(3), and one Ni(1) atom to form distorted OBaLa4Ni octahedra that share  a cornercorner with one O(3)Ba2La3Ni octahedra, corners with four equivalent O(2)BaLa4Ni octahedra, corners with twelve equivalent O(5)BaLa3Ni2 octahedra, edges with two equivalent O(3)Ba2La3Ni octahedra, edges with two equivalent O(4)Ba2La3Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Ba(1), one La(3), two equivalent La(1), and one Ni(1) atom to form distorted OBa2La3Ni octahedra that share  a cornercorner with one O(2)BaLa4Ni octahedra, corners with four equivalent O(3)Ba2La3Ni octahedra, corners with twelve equivalent O(5)BaLa3Ni2 octahedra, edges with two equivalent O(2)BaLa4Ni octahedra, edges with four equivalent O(4)Ba2La3Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one La(2), two equivalent La(1), and one Ni(2) atom to form distorted OBa2La3Ni octahedra that share corners with four equivalent O(4)Ba2La3Ni octahedra, corners with twelve equivalent O(5)BaLa3Ni2 octahedra, edges with two equivalent O(2)BaLa4Ni octahedra, edges with four equivalent O(3)Ba2La3Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-52°. In the fifth O site, O(5) is bonded to one Ba(1), one La(1), one La(2), one La(3), one Ni(1), and one Ni(2) atom to form distorted OBaLa3Ni2 octahedra that share corners with two equivalent O(5)BaLa3Ni2 octahedra, corners with three equivalent O(3)Ba2La3Ni octahedra, corners with three equivalent O(4)Ba2La3Ni octahedra, corners with three equivalent O(2)BaLa4Ni octahedra, edges with two equivalent O(5)BaLa3Ni2 octahedra,  a faceface with one O(3)Ba2La3Ni octahedra,  a faceface with one O(4)Ba2La3Ni octahedra,  a faceface with one O(2)BaLa4Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 6-55°.
BaLa3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. The Ba(1)-O(2) bond length is 2.55 Å. Both Ba(1)-O(3) bond lengths are 2.78 Å. Both Ba(1)-O(4) bond lengths are 2.80 Å. All Ba(1)-O(5) bond lengths are 2.79 Å. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. The La(1)-O(1) bond length is 2.31 Å. Both La(1)-O(3) bond lengths are 2.81 Å. Both La(1)-O(4) bond lengths are 2.79 Å. All La(1)-O(5) bond lengths are 2.65 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. The La(2)-O(4) bond length is 2.37 Å. Both La(2)-O(1) bond lengths are 2.80 Å. Both La(2)-O(2) bond lengths are 2.77 Å. All La(2)-O(5) bond lengths are 2.56 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. The La(3)-O(3) bond length is 2.39 Å. Both La(3)-O(1) bond lengths are 2.83 Å. Both La(3)-O(2) bond lengths are 2.76 Å. All La(3)-O(5) bond lengths are 2.61 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Ni(1)-O(2) bond length is 2.05 Å. The Ni(1)-O(3) bond length is 2.26 Å. All Ni(1)-O(5) bond lengths are 1.99 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Ni(2)-O(1) bond length is 2.39 Å. The Ni(2)-O(4) bond length is 2.23 Å. All Ni(2)-O(5) bond lengths are 1.91 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(2), two equivalent La(3), and one Ni(2) atom. In the second O site, O(2) is bonded to one Ba(1), two equivalent La(2), two equivalent La(3), and one Ni(1) atom to form distorted OBaLa4Ni octahedra that share  a cornercorner with one O(3)Ba2La3Ni octahedra, corners with four equivalent O(2)BaLa4Ni octahedra, corners with twelve equivalent O(5)BaLa3Ni2 octahedra, edges with two equivalent O(3)Ba2La3Ni octahedra, edges with two equivalent O(4)Ba2La3Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Ba(1), one La(3), two equivalent La(1), and one Ni(1) atom to form distorted OBa2La3Ni octahedra that share  a cornercorner with one O(2)BaLa4Ni octahedra, corners with four equivalent O(3)Ba2La3Ni octahedra, corners with twelve equivalent O(5)BaLa3Ni2 octahedra, edges with two equivalent O(2)BaLa4Ni octahedra, edges with four equivalent O(4)Ba2La3Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one La(2), two equivalent La(1), and one Ni(2) atom to form distorted OBa2La3Ni octahedra that share corners with four equivalent O(4)Ba2La3Ni octahedra, corners with twelve equivalent O(5)BaLa3Ni2 octahedra, edges with two equivalent O(2)BaLa4Ni octahedra, edges with four equivalent O(3)Ba2La3Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 17-52°. In the fifth O site, O(5) is bonded to one Ba(1), one La(1), one La(2), one La(3), one Ni(1), and one Ni(2) atom to form distorted OBaLa3Ni2 octahedra that share corners with two equivalent O(5)BaLa3Ni2 octahedra, corners with three equivalent O(3)Ba2La3Ni octahedra, corners with three equivalent O(4)Ba2La3Ni octahedra, corners with three equivalent O(2)BaLa4Ni octahedra, edges with two equivalent O(5)BaLa3Ni2 octahedra,  a faceface with one O(3)Ba2La3Ni octahedra,  a faceface with one O(4)Ba2La3Ni octahedra,  a faceface with one O(2)BaLa4Ni octahedra, and faces with four equivalent O(5)BaLa3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 6-55°.