The material described by ReSn2Se crystallizes in the cubic F-43m space group. Re(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sn(2) and four equivalent Se(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sn(2) and four equivalent Se(1) atoms to form distorted edge-sharing SnSn4Se4 tetrahedra. In the second Sn site, Sn(2) is bonded in a body-centered cubic geometry to four equivalent Re(1) and four equivalent Sn(1) atoms. Se(1) is bonded in a body-centered cubic geometry to four equivalent Re(1) and four equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ReSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.991
_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
  Re  Re0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.250  0.250  0.250  1.0
  Se  Se3  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by ReSn2Se crystallizes in the cubic F-43m space group. Re(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sn(2) and four equivalent Se(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sn(2) and four equivalent Se(1) atoms to form distorted edge-sharing SnSn4Se4 tetrahedra. In the second Sn site, Sn(2) is bonded in a body-centered cubic geometry to four equivalent Re(1) and four equivalent Sn(1) atoms. Se(1) is bonded in a body-centered cubic geometry to four equivalent Re(1) and four equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ReSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.991
_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
  Re  Re0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.250  0.250  0.250  1.0
  Se  Se3  1  0.750  0.750  0.750  1.0
[/CIF]
.