The compound described by MgYCu3Se4 crystallizes in the cubic P-43m space group. Mg(1) is bonded to four equivalent Se(1) atoms to form MgSe4 tetrahedra that share corners with four equivalent Y(1)Cu6Se4 tetrahedra. Y(1) is bonded to six equivalent Cu(1) and four equivalent Se(1) atoms to form distorted YCu6Se4 tetrahedra that share corners with four equivalent Mg(1)Se4 tetrahedra and corners with six equivalent Y(1)Cu6Se4 tetrahedra. Cu(1) is bonded in a 6-coordinate geometry to two equivalent Y(1) and four equivalent Se(1) atoms. Se(1) is bonded in a distorted pentagonal planar geometry to one Mg(1), one Y(1), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_YMgCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   5.964
_cell_length_c   5.964
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.108
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Se  Se5  1  0.255  0.255  0.255  1.0
  Se  Se6  1  0.745  0.745  0.255  1.0
  Se  Se7  1  0.255  0.745  0.745  1.0
  Se  Se8  1  0.745  0.255  0.745  1.0
[/CIF]
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The compound described by MgYCu3Se4 crystallizes in the cubic P-43m space group. Mg(1) is bonded to four equivalent Se(1) atoms to form MgSe4 tetrahedra that share corners with four equivalent Y(1)Cu6Se4 tetrahedra. Y(1) is bonded to six equivalent Cu(1) and four equivalent Se(1) atoms to form distorted YCu6Se4 tetrahedra that share corners with four equivalent Mg(1)Se4 tetrahedra and corners with six equivalent Y(1)Cu6Se4 tetrahedra. Cu(1) is bonded in a 6-coordinate geometry to two equivalent Y(1) and four equivalent Se(1) atoms. Se(1) is bonded in a distorted pentagonal planar geometry to one Mg(1), one Y(1), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_YMgCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   5.964
_cell_length_c   5.964
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.108
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Se  Se5  1  0.255  0.255  0.255  1.0
  Se  Se6  1  0.745  0.745  0.255  1.0
  Se  Se7  1  0.255  0.745  0.745  1.0
  Se  Se8  1  0.745  0.255  0.745  1.0
[/CIF]
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