The compound described by SmCuO3 crystallizes in the trigonal R-3c space group. Sm(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Cu(1) is bonded to six equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 25°. O(1) is bonded in a 5-coordinate geometry to three equivalent Sm(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_SmCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   5.334
_cell_length_c   5.334
_cell_angle_alpha   62.445
_cell_angle_beta   62.445
_cell_angle_gamma   62.445
_symmetry_Int_Tables_number   1
_cell_volume   113.176
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.250  0.250  0.250  1.0
  Sm  Sm1  1  0.750  0.750  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.750  0.173  0.327  1.0
  O  O5  1  0.673  0.250  0.827  1.0
  O  O6  1  0.827  0.673  0.250  1.0
  O  O7  1  0.173  0.327  0.750  1.0
  O  O8  1  0.327  0.750  0.173  1.0
  O  O9  1  0.250  0.827  0.673  1.0
[/CIF]
.
The compound described by SmCuO3 crystallizes in the trigonal R-3c space group. Sm(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Cu(1) is bonded to six equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 25°. O(1) is bonded in a 5-coordinate geometry to three equivalent Sm(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_SmCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   5.334
_cell_length_c   5.334
_cell_angle_alpha   62.445
_cell_angle_beta   62.445
_cell_angle_gamma   62.445
_symmetry_Int_Tables_number   1
_cell_volume   113.176
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.250  0.250  0.250  1.0
  Sm  Sm1  1  0.750  0.750  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.750  0.173  0.327  1.0
  O  O5  1  0.673  0.250  0.827  1.0
  O  O6  1  0.827  0.673  0.250  1.0
  O  O7  1  0.173  0.327  0.750  1.0
  O  O8  1  0.327  0.750  0.173  1.0
  O  O9  1  0.250  0.827  0.673  1.0
[/CIF]
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