The material described by Cd4TeSe3 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Te(1), one Se(2), and two equivalent Se(1) atoms to form CdTeSe3 tetrahedra that share corners with four equivalent Cd(2)Se4 tetrahedra, corners with four equivalent Cd(3)Te2Se2 tetrahedra, and corners with four equivalent Cd(1)TeSe3 tetrahedra. In the second Cd site, Cd(2) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Te2Se2 tetrahedra, and corners with eight equivalent Cd(1)TeSe3 tetrahedra. In the third Cd site, Cd(3) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CdTe2Se2 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Te2Se2 tetrahedra, and corners with eight equivalent Cd(1)TeSe3 tetrahedra. Te(1) is bonded to two equivalent Cd(1) and two equivalent Cd(3) atoms to form TeCd4 tetrahedra that share corners with two equivalent Te(1)Cd4 tetrahedra, corners with two equivalent Se(2)Cd4 tetrahedra, and corners with eight equivalent Se(1)Cd4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(2), one Cd(3), and two equivalent Cd(1) atoms to form SeCd4 tetrahedra that share corners with four equivalent Te(1)Cd4 tetrahedra, corners with four equivalent Se(1)Cd4 tetrahedra, and corners with four equivalent Se(2)Cd4 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form SeCd4 tetrahedra that share corners with two equivalent Te(1)Cd4 tetrahedra, corners with two equivalent Se(2)Cd4 tetrahedra, and corners with eight equivalent Se(1)Cd4 tetrahedra. is represented by the CIF card [CIF]
data_Cd4TeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.469
_cell_length_b   6.268
_cell_length_c   8.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.050
_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
  Cd  Cd0  1  0.000  0.992  0.012  1.0
  Cd  Cd1  1  0.500  0.496  0.250  1.0
  Cd  Cd2  1  0.000  0.992  0.488  1.0
  Cd  Cd3  1  0.500  0.522  0.750  1.0
  Te  Te4  1  0.000  0.247  0.750  1.0
  Se  Se5  1  0.500  0.750  0.007  1.0
  Se  Se6  1  0.000  0.252  0.250  1.0
  Se  Se7  1  0.500  0.750  0.493  1.0
[/CIF]
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The material described by Cd4TeSe3 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Te(1), one Se(2), and two equivalent Se(1) atoms to form CdTeSe3 tetrahedra that share corners with four equivalent Cd(2)Se4 tetrahedra, corners with four equivalent Cd(3)Te2Se2 tetrahedra, and corners with four equivalent Cd(1)TeSe3 tetrahedra. In the second Cd site, Cd(2) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Te2Se2 tetrahedra, and corners with eight equivalent Cd(1)TeSe3 tetrahedra. In the third Cd site, Cd(3) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CdTe2Se2 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Te2Se2 tetrahedra, and corners with eight equivalent Cd(1)TeSe3 tetrahedra. Te(1) is bonded to two equivalent Cd(1) and two equivalent Cd(3) atoms to form TeCd4 tetrahedra that share corners with two equivalent Te(1)Cd4 tetrahedra, corners with two equivalent Se(2)Cd4 tetrahedra, and corners with eight equivalent Se(1)Cd4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(2), one Cd(3), and two equivalent Cd(1) atoms to form SeCd4 tetrahedra that share corners with four equivalent Te(1)Cd4 tetrahedra, corners with four equivalent Se(1)Cd4 tetrahedra, and corners with four equivalent Se(2)Cd4 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form SeCd4 tetrahedra that share corners with two equivalent Te(1)Cd4 tetrahedra, corners with two equivalent Se(2)Cd4 tetrahedra, and corners with eight equivalent Se(1)Cd4 tetrahedra. is represented by the CIF card [CIF]
data_Cd4TeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.469
_cell_length_b   6.268
_cell_length_c   8.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.050
_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
  Cd  Cd0  1  0.000  0.992  0.012  1.0
  Cd  Cd1  1  0.500  0.496  0.250  1.0
  Cd  Cd2  1  0.000  0.992  0.488  1.0
  Cd  Cd3  1  0.500  0.522  0.750  1.0
  Te  Te4  1  0.000  0.247  0.750  1.0
  Se  Se5  1  0.500  0.750  0.007  1.0
  Se  Se6  1  0.000  0.252  0.250  1.0
  Se  Se7  1  0.500  0.750  0.493  1.0
[/CIF]
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