BaNd4(CoO3)5 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-26°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Nd(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Nd(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), one Nd(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Nd(1), one Nd(2), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(2), and two equivalent Co(1) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Nd(1), one Nd(2), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(2), two equivalent Nd(1), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(2), and two equivalent Co(2) atoms.
BaNd4(CoO3)5 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. Both Ba(1)-O(1) bond lengths are 2.77 Å. Both Ba(1)-O(2) bond lengths are 3.06 Å. Both Ba(1)-O(3) bond lengths are 2.72 Å. Both Ba(1)-O(4) bond lengths are 3.02 Å. Both Ba(1)-O(6) bond lengths are 2.83 Å. There is one shorter (2.60 Å) and one longer (2.92 Å) Ba(1)-O(8) bond length. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(7) atoms. The Nd(1)-O(3) bond length is 2.78 Å. The Nd(1)-O(4) bond length is 2.47 Å. The Nd(1)-O(5) bond length is 2.45 Å. The Nd(1)-O(6) bond length is 2.66 Å. There is one shorter (2.46 Å) and one longer (2.48 Å) Nd(1)-O(2) bond length. There is one shorter (2.35 Å) and one longer (2.78 Å) Nd(1)-O(7) bond length. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. The Nd(2)-O(3) bond length is 2.58 Å. The Nd(2)-O(4) bond length is 2.50 Å. The Nd(2)-O(5) bond length is 2.48 Å. The Nd(2)-O(6) bond length is 2.36 Å. The Nd(2)-O(7) bond length is 2.64 Å. The Nd(2)-O(8) bond length is 2.77 Å. There is one shorter (2.43 Å) and one longer (2.71 Å) Nd(2)-O(1) bond length. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-26°. The Co(1)-O(2) bond length is 2.01 Å. The Co(1)-O(3) bond length is 1.89 Å. The Co(1)-O(6) bond length is 2.05 Å. The Co(1)-O(7) bond length is 2.02 Å. There is one shorter (1.92 Å) and one longer (2.05 Å) Co(1)-O(5) bond length. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-26°. The Co(2)-O(1) bond length is 1.93 Å. The Co(2)-O(2) bond length is 1.93 Å. The Co(2)-O(3) bond length is 1.98 Å. The Co(2)-O(4) bond length is 1.97 Å. The Co(2)-O(7) bond length is 2.02 Å. The Co(2)-O(8) bond length is 1.99 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-26°. Both Co(3)-O(1) bond lengths are 2.00 Å. Both Co(3)-O(4) bond lengths are 1.94 Å. Both Co(3)-O(6) bond lengths are 2.04 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Nd(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Nd(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), one Nd(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Nd(1), one Nd(2), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(2), and two equivalent Co(1) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Nd(1), one Nd(2), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(2), two equivalent Nd(1), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(2), and two equivalent Co(2) atoms.