The material structure described by Ba2Nd2Fe(CoO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to one O(3), one O(4), one O(6), one O(7), two equivalent O(10), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Nd(1)O12 cuboctahedra, faces with two equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Nd(1) is bonded to one O(3), one O(4), one O(6), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nd(1)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Fe(1) is bonded to one O(1), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(9), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Co site, Co(2) is bonded to one O(1), one O(10), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Co site, Co(3) is bonded to one O(10), one O(2), two equivalent O(7), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Nd(1), one Fe(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Nd(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(2) atoms to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(3)Ba2Nd2Co2 octahedra, corners with two equivalent O(7)Ba2Nd2Co2 octahedra, corners with two equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(9)Ba4FeCo octahedra, corners with eight equivalent O(8)Ba2Nd2FeCo octahedra,  an edgeedge with one O(7)Ba2Nd2Co2 octahedra,  an edgeedge with one O(6)Ba2Nd2Fe2 octahedra, faces with two equivalent O(10)Ba4Co2 octahedra, and faces with four equivalent O(5)Ba2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), one Co(1), and one Co(2) atom to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(5)Ba2Nd2Co2 octahedra, corners with two equivalent O(10)Ba4Co2 octahedra, corners with two equivalent O(9)Ba4FeCo octahedra, corners with four equivalent O(7)Ba2Nd2Co2 octahedra, corners with four equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(8)Ba2Nd2FeCo octahedra, edges with two equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(8)Ba2Nd2FeCo octahedra,  a faceface with one O(10)Ba4Co2 octahedra,  a faceface with one O(9)Ba4FeCo octahedra, and faces with two equivalent O(3)Ba2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Fe(1) atoms to form distorted OBa2Nd2Fe2 octahedra that share corners with two equivalent O(3)Ba2Nd2Co2 octahedra, corners with two equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(10)Ba4Co2 octahedra, corners with eight equivalent O(5)Ba2Nd2Co2 octahedra,  an edgeedge with one O(3)Ba2Nd2Co2 octahedra, edges with two equivalent O(7)Ba2Nd2Co2 octahedra, faces with two equivalent O(9)Ba4FeCo octahedra, and faces with four equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(3) atoms to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(3)Ba2Nd2Co2 octahedra, corners with two equivalent O(7)Ba2Nd2Co2 octahedra, corners with four equivalent O(9)Ba4FeCo octahedra, corners with eight equivalent O(5)Ba2Nd2Co2 octahedra,  an edgeedge with one O(3)Ba2Nd2Co2 octahedra, edges with two equivalent O(6)Ba2Nd2Fe2 octahedra, faces with two equivalent O(10)Ba4Co2 octahedra, and faces with four equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Nd(1), one Fe(1), and one Co(3) atom to form distorted OBa2Nd2FeCo octahedra that share corners with two equivalent O(8)Ba2Nd2FeCo octahedra, corners with two equivalent O(10)Ba4Co2 octahedra, corners with two equivalent O(9)Ba4FeCo octahedra, corners with four equivalent O(3)Ba2Nd2Co2 octahedra, corners with four equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(8)Ba2Nd2FeCo octahedra,  a faceface with one O(10)Ba4Co2 octahedra,  a faceface with one O(9)Ba4FeCo octahedra, faces with two equivalent O(7)Ba2Nd2Co2 octahedra, and faces with two equivalent O(6)Ba2Nd2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the ninth O site, O(9) is bonded to four equivalent Ba(1), one Fe(1), and one Co(1) atom to form distorted OBa4FeCo octahedra that share corners with four equivalent O(3)Ba2Nd2Co2 octahedra, corners with four equivalent O(5)Ba2Nd2Co2 octahedra, corners with four equivalent O(7)Ba2Nd2Co2 octahedra, corners with four equivalent O(8)Ba2Nd2FeCo octahedra, corners with four equivalent O(10)Ba4Co2 octahedra, edges with two equivalent O(10)Ba4Co2 octahedra, edges with two equivalent O(9)Ba4FeCo octahedra, faces with two equivalent O(5)Ba2Nd2Co2 octahedra, faces with two equivalent O(6)Ba2Nd2Fe2 octahedra, and faces with two equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 2-63°. In the tenth O site, O(10) is bonded to four equivalent Ba(1), one Co(2), and one Co(3) atom to form distorted OBa4Co2 octahedra that share corners with four equivalent O(5)Ba2Nd2Co2 octahedra, corners with four equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(8)Ba2Nd2FeCo octahedra, corners with four equivalent O(9)Ba4FeCo octahedra, edges with two equivalent O(10)Ba4Co2 octahedra, edges with two equivalent O(9)Ba4FeCo octahedra, faces with two equivalent O(3)Ba2Nd2Co2 octahedra, faces with two equivalent O(5)Ba2Nd2Co2 octahedra, faces with two equivalent O(7)Ba2Nd2Co2 octahedra, and faces with two equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 2-62°. is represented by the CIF card [CIF]
data_Ba2Nd2Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.748
_cell_length_b   8.748
_cell_length_c   3.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.371
_symmetry_Int_Tables_number   1
_cell_volume   242.790
_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  0.002  0.504  0.000  1.0
  Ba  Ba1  1  0.496  0.998  0.000  1.0
  Nd  Nd2  1  0.753  0.750  0.000  1.0
  Nd  Nd3  1  0.250  0.247  0.000  1.0
  Fe  Fe4  1  0.878  0.122  0.500  1.0
  Co  Co5  1  0.623  0.377  0.500  1.0
  Co  Co6  1  0.124  0.876  0.500  1.0
  Co  Co7  1  0.378  0.622  0.500  1.0
  O  O8  1  0.002  0.998  0.500  1.0
  O  O9  1  0.505  0.495  0.500  1.0
  O  O10  1  0.111  0.889  0.000  1.0
  O  O11  1  0.610  0.390  0.000  1.0
  O  O12  1  0.875  0.647  0.500  1.0
  O  O13  1  0.353  0.125  0.500  1.0
  O  O14  1  0.884  0.116  0.000  1.0
  O  O15  1  0.388  0.612  0.000  1.0
  O  O16  1  0.637  0.861  0.500  1.0
  O  O17  1  0.139  0.363  0.500  1.0
  O  O18  1  0.743  0.257  0.500  1.0
  O  O19  1  0.250  0.750  0.500  1.0
[/CIF]
.
The material structure described by Ba2Nd2Fe(CoO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to one O(3), one O(4), one O(6), one O(7), two equivalent O(10), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Nd(1)O12 cuboctahedra, faces with two equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Nd(1) is bonded to one O(3), one O(4), one O(6), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nd(1)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Fe(1) is bonded to one O(1), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(9), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Co site, Co(2) is bonded to one O(1), one O(10), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Co site, Co(3) is bonded to one O(10), one O(2), two equivalent O(7), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Nd(1), one Fe(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Nd(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(2) atoms to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(3)Ba2Nd2Co2 octahedra, corners with two equivalent O(7)Ba2Nd2Co2 octahedra, corners with two equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(9)Ba4FeCo octahedra, corners with eight equivalent O(8)Ba2Nd2FeCo octahedra,  an edgeedge with one O(7)Ba2Nd2Co2 octahedra,  an edgeedge with one O(6)Ba2Nd2Fe2 octahedra, faces with two equivalent O(10)Ba4Co2 octahedra, and faces with four equivalent O(5)Ba2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), one Co(1), and one Co(2) atom to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(5)Ba2Nd2Co2 octahedra, corners with two equivalent O(10)Ba4Co2 octahedra, corners with two equivalent O(9)Ba4FeCo octahedra, corners with four equivalent O(7)Ba2Nd2Co2 octahedra, corners with four equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(8)Ba2Nd2FeCo octahedra, edges with two equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(8)Ba2Nd2FeCo octahedra,  a faceface with one O(10)Ba4Co2 octahedra,  a faceface with one O(9)Ba4FeCo octahedra, and faces with two equivalent O(3)Ba2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Fe(1) atoms to form distorted OBa2Nd2Fe2 octahedra that share corners with two equivalent O(3)Ba2Nd2Co2 octahedra, corners with two equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(10)Ba4Co2 octahedra, corners with eight equivalent O(5)Ba2Nd2Co2 octahedra,  an edgeedge with one O(3)Ba2Nd2Co2 octahedra, edges with two equivalent O(7)Ba2Nd2Co2 octahedra, faces with two equivalent O(9)Ba4FeCo octahedra, and faces with four equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(3) atoms to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(3)Ba2Nd2Co2 octahedra, corners with two equivalent O(7)Ba2Nd2Co2 octahedra, corners with four equivalent O(9)Ba4FeCo octahedra, corners with eight equivalent O(5)Ba2Nd2Co2 octahedra,  an edgeedge with one O(3)Ba2Nd2Co2 octahedra, edges with two equivalent O(6)Ba2Nd2Fe2 octahedra, faces with two equivalent O(10)Ba4Co2 octahedra, and faces with four equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Nd(1), one Fe(1), and one Co(3) atom to form distorted OBa2Nd2FeCo octahedra that share corners with two equivalent O(8)Ba2Nd2FeCo octahedra, corners with two equivalent O(10)Ba4Co2 octahedra, corners with two equivalent O(9)Ba4FeCo octahedra, corners with four equivalent O(3)Ba2Nd2Co2 octahedra, corners with four equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(8)Ba2Nd2FeCo octahedra,  a faceface with one O(10)Ba4Co2 octahedra,  a faceface with one O(9)Ba4FeCo octahedra, faces with two equivalent O(7)Ba2Nd2Co2 octahedra, and faces with two equivalent O(6)Ba2Nd2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the ninth O site, O(9) is bonded to four equivalent Ba(1), one Fe(1), and one Co(1) atom to form distorted OBa4FeCo octahedra that share corners with four equivalent O(3)Ba2Nd2Co2 octahedra, corners with four equivalent O(5)Ba2Nd2Co2 octahedra, corners with four equivalent O(7)Ba2Nd2Co2 octahedra, corners with four equivalent O(8)Ba2Nd2FeCo octahedra, corners with four equivalent O(10)Ba4Co2 octahedra, edges with two equivalent O(10)Ba4Co2 octahedra, edges with two equivalent O(9)Ba4FeCo octahedra, faces with two equivalent O(5)Ba2Nd2Co2 octahedra, faces with two equivalent O(6)Ba2Nd2Fe2 octahedra, and faces with two equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 2-63°. In the tenth O site, O(10) is bonded to four equivalent Ba(1), one Co(2), and one Co(3) atom to form distorted OBa4Co2 octahedra that share corners with four equivalent O(5)Ba2Nd2Co2 octahedra, corners with four equivalent O(6)Ba2Nd2Fe2 octahedra, corners with four equivalent O(8)Ba2Nd2FeCo octahedra, corners with four equivalent O(9)Ba4FeCo octahedra, edges with two equivalent O(10)Ba4Co2 octahedra, edges with two equivalent O(9)Ba4FeCo octahedra, faces with two equivalent O(3)Ba2Nd2Co2 octahedra, faces with two equivalent O(5)Ba2Nd2Co2 octahedra, faces with two equivalent O(7)Ba2Nd2Co2 octahedra, and faces with two equivalent O(8)Ba2Nd2FeCo octahedra. The corner-sharing octahedral tilt angles range from 2-62°. is represented by the CIF card [CIF]
data_Ba2Nd2Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.748
_cell_length_b   8.748
_cell_length_c   3.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.371
_symmetry_Int_Tables_number   1
_cell_volume   242.790
_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  0.002  0.504  0.000  1.0
  Ba  Ba1  1  0.496  0.998  0.000  1.0
  Nd  Nd2  1  0.753  0.750  0.000  1.0
  Nd  Nd3  1  0.250  0.247  0.000  1.0
  Fe  Fe4  1  0.878  0.122  0.500  1.0
  Co  Co5  1  0.623  0.377  0.500  1.0
  Co  Co6  1  0.124  0.876  0.500  1.0
  Co  Co7  1  0.378  0.622  0.500  1.0
  O  O8  1  0.002  0.998  0.500  1.0
  O  O9  1  0.505  0.495  0.500  1.0
  O  O10  1  0.111  0.889  0.000  1.0
  O  O11  1  0.610  0.390  0.000  1.0
  O  O12  1  0.875  0.647  0.500  1.0
  O  O13  1  0.353  0.125  0.500  1.0
  O  O14  1  0.884  0.116  0.000  1.0
  O  O15  1  0.388  0.612  0.000  1.0
  O  O16  1  0.637  0.861  0.500  1.0
  O  O17  1  0.139  0.363  0.500  1.0
  O  O18  1  0.743  0.257  0.500  1.0
  O  O19  1  0.250  0.750  0.500  1.0
[/CIF]
.