The compound described by Sm2Cu2O5 crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 17°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted CuO4 trigonal pyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Cu(2) atoms to form corner-sharing OSm2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.701
_cell_length_b   8.701
_cell_length_c   8.701
_cell_angle_alpha   144.796
_cell_angle_beta   142.658
_cell_angle_gamma   52.256
_symmetry_Int_Tables_number   1
_cell_volume   229.048
_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  0.903  0.388  0.519  1.0
  Sm  Sm1  1  0.097  0.616  0.485  1.0
  Sm  Sm2  1  0.369  0.888  0.485  1.0
  Sm  Sm3  1  0.631  0.116  0.519  1.0
  Cu  Cu4  1  0.000  0.012  0.012  1.0
  Cu  Cu5  1  0.500  0.512  0.012  1.0
  Cu  Cu6  1  0.716  0.729  0.945  1.0
  Cu  Cu7  1  0.284  0.229  0.013  1.0
  O  O8  1  0.274  0.274  0.512  1.0
  O  O9  1  0.726  0.237  0.999  1.0
  O  O10  1  0.262  0.774  0.999  1.0
  O  O11  1  0.738  0.737  0.512  1.0
  O  O12  1  0.940  0.907  0.117  1.0
  O  O13  1  0.060  0.176  0.967  1.0
  O  O14  1  0.290  0.407  0.967  1.0
  O  O15  1  0.710  0.676  0.117  1.0
  O  O16  1  0.662  0.325  0.487  1.0
  O  O17  1  0.338  0.825  0.663  1.0
[/CIF]
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The compound described by Sm2Cu2O5 crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 17°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted CuO4 trigonal pyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Cu(2) atoms to form corner-sharing OSm2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.701
_cell_length_b   8.701
_cell_length_c   8.701
_cell_angle_alpha   144.796
_cell_angle_beta   142.658
_cell_angle_gamma   52.256
_symmetry_Int_Tables_number   1
_cell_volume   229.048
_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  0.903  0.388  0.519  1.0
  Sm  Sm1  1  0.097  0.616  0.485  1.0
  Sm  Sm2  1  0.369  0.888  0.485  1.0
  Sm  Sm3  1  0.631  0.116  0.519  1.0
  Cu  Cu4  1  0.000  0.012  0.012  1.0
  Cu  Cu5  1  0.500  0.512  0.012  1.0
  Cu  Cu6  1  0.716  0.729  0.945  1.0
  Cu  Cu7  1  0.284  0.229  0.013  1.0
  O  O8  1  0.274  0.274  0.512  1.0
  O  O9  1  0.726  0.237  0.999  1.0
  O  O10  1  0.262  0.774  0.999  1.0
  O  O11  1  0.738  0.737  0.512  1.0
  O  O12  1  0.940  0.907  0.117  1.0
  O  O13  1  0.060  0.176  0.967  1.0
  O  O14  1  0.290  0.407  0.967  1.0
  O  O15  1  0.710  0.676  0.117  1.0
  O  O16  1  0.662  0.325  0.487  1.0
  O  O17  1  0.338  0.825  0.663  1.0
[/CIF]
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