BaNd3(CoO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 10-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Nd(1), one Nd(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Nd(2), one Nd(3), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Nd(2), one Nd(3), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Nd(1), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Nd(1), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Co(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Co(1) atoms.
BaNd3(CoO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Ba(1)-O(1) bond lengths are 2.78 Å. Both Ba(1)-O(2) bond lengths are 2.68 Å. Both Ba(1)-O(3) bond lengths are 3.17 Å. Both Ba(1)-O(4) bond lengths are 2.91 Å. There is one shorter (2.73 Å) and one longer (2.84 Å) Ba(1)-O(5) bond length. There is one shorter (2.57 Å) and one longer (2.92 Å) Ba(1)-O(6) bond length. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. The Nd(1)-O(5) bond length is 2.37 Å. The Nd(1)-O(6) bond length is 2.43 Å. Both Nd(1)-O(1) bond lengths are 2.44 Å. Both Nd(1)-O(2) bond lengths are 2.59 Å. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. The Nd(2)-O(7) bond length is 2.55 Å. The Nd(2)-O(8) bond length is 2.37 Å. Both Nd(2)-O(3) bond lengths are 2.49 Å. Both Nd(2)-O(4) bond lengths are 2.48 Å. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Nd(3)-O(7) bond length is 2.38 Å. The Nd(3)-O(8) bond length is 2.51 Å. Both Nd(3)-O(1) bond lengths are 2.70 Å. Both Nd(3)-O(3) bond lengths are 2.46 Å. Both Nd(3)-O(4) bond lengths are 2.56 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. The Co(1)-O(1) bond length is 2.03 Å. The Co(1)-O(2) bond length is 1.90 Å. The Co(1)-O(3) bond length is 2.09 Å. The Co(1)-O(4) bond length is 1.94 Å. The Co(1)-O(6) bond length is 2.00 Å. The Co(1)-O(8) bond length is 2.00 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 10-26°. The Co(2)-O(1) bond length is 1.92 Å. The Co(2)-O(2) bond length is 1.97 Å. The Co(2)-O(3) bond length is 1.94 Å. The Co(2)-O(4) bond length is 1.99 Å. The Co(2)-O(5) bond length is 2.05 Å. The Co(2)-O(7) bond length is 1.98 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), one Nd(1), one Nd(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Nd(2), one Nd(3), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Nd(2), one Nd(3), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Nd(1), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Nd(1), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Co(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Co(1) atoms.