The structure described by SrCu3AlSe4 crystallizes in the cubic P-43m space group. Sr(1) is bonded to four equivalent Se(1) atoms to form SrSe4 tetrahedra that share corners with four equivalent Al(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Sr(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Al(1)Se4 tetrahedra. Al(1) is bonded to four equivalent Se(1) atoms to form AlSe4 tetrahedra that share corners with four equivalent Sr(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Sr(1), three equivalent Cu(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing SeSrAlCu3 trigonal bipyramids. is represented by the CIF card [CIF]
data_SrAlCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   6.071
_cell_length_c   6.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.775
_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  0.500  0.500  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  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  0.225  0.225  0.225  1.0
  Se  Se6  1  0.775  0.775  0.225  1.0
  Se  Se7  1  0.225  0.775  0.775  1.0
  Se  Se8  1  0.775  0.225  0.775  1.0
[/CIF]
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The structure described by SrCu3AlSe4 crystallizes in the cubic P-43m space group. Sr(1) is bonded to four equivalent Se(1) atoms to form SrSe4 tetrahedra that share corners with four equivalent Al(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Sr(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Al(1)Se4 tetrahedra. Al(1) is bonded to four equivalent Se(1) atoms to form AlSe4 tetrahedra that share corners with four equivalent Sr(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Sr(1), three equivalent Cu(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing SeSrAlCu3 trigonal bipyramids. is represented by the CIF card [CIF]
data_SrAlCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   6.071
_cell_length_c   6.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.775
_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  0.500  0.500  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  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  0.225  0.225  0.225  1.0
  Se  Se6  1  0.775  0.775  0.225  1.0
  Se  Se7  1  0.225  0.775  0.775  1.0
  Se  Se8  1  0.775  0.225  0.775  1.0
[/CIF]
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