The structure described by Ba2Nd2Co4O11 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O5 trigonal bipyramids. Nd(1) is bonded in a distorted q6 geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Co site, Co(2) is bonded to one O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Co(2) atoms to form OBa4Co2 octahedra that share corners with four equivalent O(2)Ba4Co2 octahedra, corners with eight equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(1)Ba4Co2 octahedra, and edges with two equivalent O(2)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Co(1) atoms to form distorted OBa4Co2 octahedra that share corners with two equivalent O(3)Nd4Co2 octahedra, corners with four equivalent O(1)Ba4Co2 octahedra, edges with two equivalent O(1)Ba4Co2 octahedra, edges with two equivalent O(2)Ba4Co2 octahedra, and faces with four equivalent O(5)Ba2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to four equivalent Nd(1) and two equivalent Co(1) atoms to form distorted ONd4Co2 octahedra that share corners with two equivalent O(2)Ba4Co2 octahedra, edges with two equivalent O(3)Nd4Co2 octahedra, and faces with four equivalent O(5)Ba2Nd2Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(5)Ba2Nd2Co2 octahedra, corners with four equivalent O(1)Ba4Co2 octahedra, edges with two equivalent O(5)Ba2Nd2Co2 octahedra, faces with two equivalent O(2)Ba4Co2 octahedra, and faces with two equivalent O(3)Nd4Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-60°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Ba2Nd2Co4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.842
_cell_length_b   7.919
_cell_length_c   7.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.166
_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  0.500  0.000  0.243  1.0
  Ba  Ba1  1  0.500  0.000  0.757  1.0
  Nd  Nd2  1  0.500  0.500  0.267  1.0
  Nd  Nd3  1  0.500  0.500  0.733  1.0
  Co  Co4  1  0.000  0.751  0.500  1.0
  Co  Co5  1  0.000  0.249  0.500  1.0
  Co  Co6  1  0.000  0.741  0.000  1.0
  Co  Co7  1  0.000  0.259  0.000  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.683  0.000  1.0
  O  O12  1  0.500  0.317  0.000  1.0
  O  O13  1  0.500  0.732  0.500  1.0
  O  O14  1  0.500  0.268  0.500  1.0
  O  O15  1  0.000  0.709  0.237  1.0
  O  O16  1  0.000  0.709  0.763  1.0
  O  O17  1  0.000  0.291  0.763  1.0
  O  O18  1  0.000  0.291  0.237  1.0
[/CIF]
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The structure described by Ba2Nd2Co4O11 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O5 trigonal bipyramids. Nd(1) is bonded in a distorted q6 geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Co site, Co(2) is bonded to one O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Co(2) atoms to form OBa4Co2 octahedra that share corners with four equivalent O(2)Ba4Co2 octahedra, corners with eight equivalent O(5)Ba2Nd2Co2 octahedra, edges with two equivalent O(1)Ba4Co2 octahedra, and edges with two equivalent O(2)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Co(1) atoms to form distorted OBa4Co2 octahedra that share corners with two equivalent O(3)Nd4Co2 octahedra, corners with four equivalent O(1)Ba4Co2 octahedra, edges with two equivalent O(1)Ba4Co2 octahedra, edges with two equivalent O(2)Ba4Co2 octahedra, and faces with four equivalent O(5)Ba2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to four equivalent Nd(1) and two equivalent Co(1) atoms to form distorted ONd4Co2 octahedra that share corners with two equivalent O(2)Ba4Co2 octahedra, edges with two equivalent O(3)Nd4Co2 octahedra, and faces with four equivalent O(5)Ba2Nd2Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OBa2Nd2Co2 octahedra that share corners with two equivalent O(5)Ba2Nd2Co2 octahedra, corners with four equivalent O(1)Ba4Co2 octahedra, edges with two equivalent O(5)Ba2Nd2Co2 octahedra, faces with two equivalent O(2)Ba4Co2 octahedra, and faces with two equivalent O(3)Nd4Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-60°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Ba2Nd2Co4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.842
_cell_length_b   7.919
_cell_length_c   7.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.166
_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  0.500  0.000  0.243  1.0
  Ba  Ba1  1  0.500  0.000  0.757  1.0
  Nd  Nd2  1  0.500  0.500  0.267  1.0
  Nd  Nd3  1  0.500  0.500  0.733  1.0
  Co  Co4  1  0.000  0.751  0.500  1.0
  Co  Co5  1  0.000  0.249  0.500  1.0
  Co  Co6  1  0.000  0.741  0.000  1.0
  Co  Co7  1  0.000  0.259  0.000  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.683  0.000  1.0
  O  O12  1  0.500  0.317  0.000  1.0
  O  O13  1  0.500  0.732  0.500  1.0
  O  O14  1  0.500  0.268  0.500  1.0
  O  O15  1  0.000  0.709  0.237  1.0
  O  O16  1  0.000  0.709  0.763  1.0
  O  O17  1  0.000  0.291  0.763  1.0
  O  O18  1  0.000  0.291  0.237  1.0
[/CIF]
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