The material structure described by SmNd(CoO3)4 crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(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 four equivalent O(3) and eight equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sm(1)O12 cuboctahedra, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sm(1), one Nd(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Sm(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Nd(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_NdSm(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   5.280
_cell_length_c   7.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.727
_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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.749  1.0
  Co  Co3  1  0.000  0.500  0.251  1.0
  Co  Co4  1  0.500  0.000  0.251  1.0
  Co  Co5  1  0.500  0.000  0.749  1.0
  O  O6  1  0.248  0.248  0.252  1.0
  O  O7  1  0.248  0.248  0.748  1.0
  O  O8  1  0.752  0.752  0.252  1.0
  O  O9  1  0.752  0.752  0.748  1.0
  O  O10  1  0.752  0.248  0.748  1.0
  O  O11  1  0.752  0.248  0.252  1.0
  O  O12  1  0.248  0.752  0.748  1.0
  O  O13  1  0.248  0.752  0.252  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by SmNd(CoO3)4 crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(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 four equivalent O(3) and eight equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sm(1)O12 cuboctahedra, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sm(1), one Nd(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Sm(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Nd(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_NdSm(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   5.280
_cell_length_c   7.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.727
_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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.749  1.0
  Co  Co3  1  0.000  0.500  0.251  1.0
  Co  Co4  1  0.500  0.000  0.251  1.0
  Co  Co5  1  0.500  0.000  0.749  1.0
  O  O6  1  0.248  0.248  0.252  1.0
  O  O7  1  0.248  0.248  0.748  1.0
  O  O8  1  0.752  0.752  0.252  1.0
  O  O9  1  0.752  0.752  0.748  1.0
  O  O10  1  0.752  0.248  0.748  1.0
  O  O11  1  0.752  0.248  0.252  1.0
  O  O12  1  0.248  0.752  0.748  1.0
  O  O13  1  0.248  0.752  0.252  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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