The compound described by Cu2SnSe4 crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   6.666
_cell_length_c   6.666
_cell_angle_alpha   130.070
_cell_angle_beta   130.070
_cell_angle_gamma   73.295
_symmetry_Int_Tables_number   1
_cell_volume   169.306
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.651  0.093  0.000  1.0
  Se  Se4  1  0.349  0.349  0.442  1.0
  Se  Se5  1  0.907  0.907  0.558  1.0
  Se  Se6  1  0.093  0.651  0.000  1.0
[/CIF]
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The compound described by Cu2SnSe4 crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   6.666
_cell_length_c   6.666
_cell_angle_alpha   130.070
_cell_angle_beta   130.070
_cell_angle_gamma   73.295
_symmetry_Int_Tables_number   1
_cell_volume   169.306
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.651  0.093  0.000  1.0
  Se  Se4  1  0.349  0.349  0.442  1.0
  Se  Se5  1  0.907  0.907  0.558  1.0
  Se  Se6  1  0.093  0.651  0.000  1.0
[/CIF]
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