The structure described by CaNd(CoO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O6 octahedra. Nd(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form distorted NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Ca(1)O12 cuboctahedra, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Nd(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Nd(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaNd(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.303
_cell_length_c   7.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.505
_symmetry_Int_Tables_number   1
_cell_volume   211.602
_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
  Ca  Ca0  1  0.494  0.494  0.500  1.0
  Nd  Nd1  1  0.007  0.007  0.000  1.0
  Co  Co2  1  0.500  0.997  0.746  1.0
  Co  Co3  1  0.500  0.997  0.254  1.0
  Co  Co4  1  0.997  0.500  0.254  1.0
  Co  Co5  1  0.997  0.500  0.746  1.0
  O  O6  1  0.738  0.263  0.751  1.0
  O  O7  1  0.263  0.738  0.751  1.0
  O  O8  1  0.263  0.738  0.249  1.0
  O  O9  1  0.738  0.263  0.249  1.0
  O  O10  1  0.773  0.773  0.773  1.0
  O  O11  1  0.235  0.235  0.737  1.0
  O  O12  1  0.235  0.235  0.263  1.0
  O  O13  1  0.773  0.773  0.227  1.0
  O  O14  1  0.478  0.013  0.000  1.0
  O  O15  1  0.518  0.977  0.500  1.0
  O  O16  1  0.013  0.478  0.000  1.0
  O  O17  1  0.977  0.518  0.500  1.0
[/CIF]
.
The structure described by CaNd(CoO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O6 octahedra. Nd(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form distorted NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Ca(1)O12 cuboctahedra, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Nd(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Nd(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaNd(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.303
_cell_length_c   7.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.505
_symmetry_Int_Tables_number   1
_cell_volume   211.602
_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
  Ca  Ca0  1  0.494  0.494  0.500  1.0
  Nd  Nd1  1  0.007  0.007  0.000  1.0
  Co  Co2  1  0.500  0.997  0.746  1.0
  Co  Co3  1  0.500  0.997  0.254  1.0
  Co  Co4  1  0.997  0.500  0.254  1.0
  Co  Co5  1  0.997  0.500  0.746  1.0
  O  O6  1  0.738  0.263  0.751  1.0
  O  O7  1  0.263  0.738  0.751  1.0
  O  O8  1  0.263  0.738  0.249  1.0
  O  O9  1  0.738  0.263  0.249  1.0
  O  O10  1  0.773  0.773  0.773  1.0
  O  O11  1  0.235  0.235  0.737  1.0
  O  O12  1  0.235  0.235  0.263  1.0
  O  O13  1  0.773  0.773  0.227  1.0
  O  O14  1  0.478  0.013  0.000  1.0
  O  O15  1  0.518  0.977  0.500  1.0
  O  O16  1  0.013  0.478  0.000  1.0
  O  O17  1  0.977  0.518  0.500  1.0
[/CIF]
.