The structure described by CrCuSnSe4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with four equivalent Sn(1)Se6 octahedra. Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with six equivalent Cr(1)Se6 octahedra and corners with six equivalent Sn(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Sn(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form SnSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Sn(1)Se6 octahedra, and edges with four equivalent Cr(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cu(1), and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Cu(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCuSnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.640
_cell_length_b   7.640
_cell_length_c   7.640
_cell_angle_alpha   120.405
_cell_angle_beta   119.204
_cell_angle_gamma   90.343
_symmetry_Int_Tables_number   1
_cell_volume   316.164
_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
  Cr  Cr0  1  0.500  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.880  0.630  0.250  1.0
  Cu  Cu3  1  0.120  0.370  0.750  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.736  0.732  0.496  1.0
  Se  Se7  1  0.736  0.240  0.004  1.0
  Se  Se8  1  0.724  0.748  0.976  1.0
  Se  Se9  1  0.272  0.748  0.524  1.0
  Se  Se10  1  0.264  0.268  0.504  1.0
  Se  Se11  1  0.264  0.760  0.996  1.0
  Se  Se12  1  0.276  0.252  0.024  1.0
  Se  Se13  1  0.728  0.252  0.476  1.0
[/CIF]
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The structure described by CrCuSnSe4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with four equivalent Sn(1)Se6 octahedra. Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with six equivalent Cr(1)Se6 octahedra and corners with six equivalent Sn(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Sn(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form SnSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Sn(1)Se6 octahedra, and edges with four equivalent Cr(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cu(1), and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Cu(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCuSnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.640
_cell_length_b   7.640
_cell_length_c   7.640
_cell_angle_alpha   120.405
_cell_angle_beta   119.204
_cell_angle_gamma   90.343
_symmetry_Int_Tables_number   1
_cell_volume   316.164
_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
  Cr  Cr0  1  0.500  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.880  0.630  0.250  1.0
  Cu  Cu3  1  0.120  0.370  0.750  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.736  0.732  0.496  1.0
  Se  Se7  1  0.736  0.240  0.004  1.0
  Se  Se8  1  0.724  0.748  0.976  1.0
  Se  Se9  1  0.272  0.748  0.524  1.0
  Se  Se10  1  0.264  0.268  0.504  1.0
  Se  Se11  1  0.264  0.760  0.996  1.0
  Se  Se12  1  0.276  0.252  0.024  1.0
  Se  Se13  1  0.728  0.252  0.476  1.0
[/CIF]
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