The compound described by Sr2CuSeO2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(1) atoms. O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of corner, face, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sr2CuSeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   3.951
_cell_length_c   6.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.086
_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
  Sr  Sr0  1  0.000  0.000  0.243  1.0
  Sr  Sr1  1  0.000  0.000  0.757  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by Sr2CuSeO2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(1) atoms. O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of corner, face, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sr2CuSeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   3.951
_cell_length_c   6.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.086
_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
  Sr  Sr0  1  0.000  0.000  0.243  1.0
  Sr  Sr1  1  0.000  0.000  0.757  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.500  0.000  0.000  1.0
[/CIF]
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