The structure described by Ba3Nd3(Co3O8)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(4), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(3)O5 square pyramids, and faces with four equivalent Co(2)O5 square pyramids. In the second Ba site, Ba(2) is bonded to one O(5), two equivalent O(1), two equivalent O(2), three equivalent O(4), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O5 square pyramids, and faces with three equivalent Co(3)O5 square pyramids. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent O(6), four equivalent O(1), and four equivalent O(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O5 square pyramids, corners with three equivalent Co(3)O5 square pyramids,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CoO5 square pyramids that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Co(3)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. In the third Co site, Co(3) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CoO5 square pyramids that share corners with three equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O5 square pyramids,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-15°. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Ba(1), three equivalent Ba(2), one Co(1), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(5) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Co(2) atoms to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(6) is bonded in a distorted linear geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Co(1) atoms. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), one Nd(2), one Co(1), and one Co(2) atom. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Nd(1), one Co(2), and one Co(3) atom. In the sixth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), one Nd(1), one Nd(2), one Co(1), and one Co(3) atom. is represented by the CIF card [CIF]
data_Ba3Nd3(Co3O8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.659
_cell_length_b   8.659
_cell_length_c   9.551
_cell_angle_alpha   58.247
_cell_angle_beta   58.247
_cell_angle_gamma   38.047
_symmetry_Int_Tables_number   1
_cell_volume   366.653
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.336  0.336  0.833  1.0
  Ba  Ba2  1  0.664  0.664  0.167  1.0
  Nd  Nd3  1  0.159  0.159  0.684  1.0
  Nd  Nd4  1  0.500  0.500  0.000  1.0
  Nd  Nd5  1  0.841  0.841  0.316  1.0
  Co  Co6  1  0.081  0.081  0.080  1.0
  Co  Co7  1  0.413  0.413  0.421  1.0
  Co  Co8  1  0.751  0.751  0.742  1.0
  Co  Co9  1  0.249  0.249  0.258  1.0
  Co  Co10  1  0.587  0.587  0.579  1.0
  Co  Co11  1  0.919  0.919  0.920  1.0
  O  O12  1  0.719  0.241  0.244  1.0
  O  O13  1  0.065  0.567  0.565  1.0
  O  O14  1  0.419  0.896  0.894  1.0
  O  O15  1  0.241  0.719  0.244  1.0
  O  O16  1  0.567  0.065  0.565  1.0
  O  O17  1  0.896  0.419  0.894  1.0
  O  O18  1  0.935  0.433  0.435  1.0
  O  O19  1  0.281  0.759  0.756  1.0
  O  O20  1  0.581  0.104  0.106  1.0
  O  O21  1  0.433  0.935  0.435  1.0
  O  O22  1  0.759  0.281  0.756  1.0
  O  O23  1  0.104  0.581  0.106  1.0
  O  O24  1  0.157  0.157  0.163  1.0
  O  O25  1  0.500  0.500  0.500  1.0
  O  O26  1  0.843  0.843  0.837  1.0
  O  O27  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Ba3Nd3(Co3O8)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(4), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(3)O5 square pyramids, and faces with four equivalent Co(2)O5 square pyramids. In the second Ba site, Ba(2) is bonded to one O(5), two equivalent O(1), two equivalent O(2), three equivalent O(4), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O5 square pyramids, and faces with three equivalent Co(3)O5 square pyramids. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent O(6), four equivalent O(1), and four equivalent O(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O5 square pyramids, corners with three equivalent Co(3)O5 square pyramids,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CoO5 square pyramids that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Co(3)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. In the third Co site, Co(3) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CoO5 square pyramids that share corners with three equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O5 square pyramids,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-15°. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Ba(1), three equivalent Ba(2), one Co(1), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(5) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Co(2) atoms to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(6) is bonded in a distorted linear geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Co(1) atoms. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), one Nd(2), one Co(1), and one Co(2) atom. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Nd(1), one Co(2), and one Co(3) atom. In the sixth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), one Nd(1), one Nd(2), one Co(1), and one Co(3) atom. is represented by the CIF card [CIF]
data_Ba3Nd3(Co3O8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.659
_cell_length_b   8.659
_cell_length_c   9.551
_cell_angle_alpha   58.247
_cell_angle_beta   58.247
_cell_angle_gamma   38.047
_symmetry_Int_Tables_number   1
_cell_volume   366.653
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.336  0.336  0.833  1.0
  Ba  Ba2  1  0.664  0.664  0.167  1.0
  Nd  Nd3  1  0.159  0.159  0.684  1.0
  Nd  Nd4  1  0.500  0.500  0.000  1.0
  Nd  Nd5  1  0.841  0.841  0.316  1.0
  Co  Co6  1  0.081  0.081  0.080  1.0
  Co  Co7  1  0.413  0.413  0.421  1.0
  Co  Co8  1  0.751  0.751  0.742  1.0
  Co  Co9  1  0.249  0.249  0.258  1.0
  Co  Co10  1  0.587  0.587  0.579  1.0
  Co  Co11  1  0.919  0.919  0.920  1.0
  O  O12  1  0.719  0.241  0.244  1.0
  O  O13  1  0.065  0.567  0.565  1.0
  O  O14  1  0.419  0.896  0.894  1.0
  O  O15  1  0.241  0.719  0.244  1.0
  O  O16  1  0.567  0.065  0.565  1.0
  O  O17  1  0.896  0.419  0.894  1.0
  O  O18  1  0.935  0.433  0.435  1.0
  O  O19  1  0.281  0.759  0.756  1.0
  O  O20  1  0.581  0.104  0.106  1.0
  O  O21  1  0.433  0.935  0.435  1.0
  O  O22  1  0.759  0.281  0.756  1.0
  O  O23  1  0.104  0.581  0.106  1.0
  O  O24  1  0.157  0.157  0.163  1.0
  O  O25  1  0.500  0.500  0.500  1.0
  O  O26  1  0.843  0.843  0.837  1.0
  O  O27  1  0.000  0.000  0.000  1.0
[/CIF]
.