The structure described by Sm2CuO4 crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Sm(1) and two equivalent Cu(1) atoms to form distorted OSm4Cu2 octahedra that share corners with two equivalent O(2)Sm4Cu2 octahedra, corners with twelve equivalent O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm4Cu2 octahedra, edges with two equivalent O(1)Sm4 tetrahedra, and faces with four equivalent O(2)Sm4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with twelve equivalent O(2)Sm4Cu2 octahedra, corners with four equivalent O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm4Cu2 octahedra, and edges with four equivalent O(1)Sm4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. is represented by the CIF file [CIF]
data_Sm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.907
_cell_length_b   3.907
_cell_length_c   6.609
_cell_angle_alpha   107.193
_cell_angle_beta   107.193
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.654
_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
  Sm  Sm0  1  0.650  0.650  0.299  1.0
  Sm  Sm1  1  0.350  0.350  0.701  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
[/CIF]
.
The structure described by Sm2CuO4 crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Sm(1) and two equivalent Cu(1) atoms to form distorted OSm4Cu2 octahedra that share corners with two equivalent O(2)Sm4Cu2 octahedra, corners with twelve equivalent O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm4Cu2 octahedra, edges with two equivalent O(1)Sm4 tetrahedra, and faces with four equivalent O(2)Sm4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with twelve equivalent O(2)Sm4Cu2 octahedra, corners with four equivalent O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm4Cu2 octahedra, and edges with four equivalent O(1)Sm4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. is represented by the CIF file [CIF]
data_Sm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.907
_cell_length_b   3.907
_cell_length_c   6.609
_cell_angle_alpha   107.193
_cell_angle_beta   107.193
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.654
_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
  Sm  Sm0  1  0.650  0.650  0.299  1.0
  Sm  Sm1  1  0.350  0.350  0.701  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
[/CIF]
.