The material described by Sb2SnZn is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Zn(1) is bonded to four equivalent Sb(1) atoms to form ZnSb4 tetrahedra that share corners with four equivalent Zn(1)Sb4 tetrahedra and corners with eight equivalent Sn(1)Sb4 tetrahedra. Sn(1) is bonded to four equivalent Sb(1) atoms to form SnSb4 tetrahedra that share corners with four equivalent Sn(1)Sb4 tetrahedra and corners with eight equivalent Zn(1)Sb4 tetrahedra. Sb(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form corner-sharing SbZn2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_ZnSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.312
_cell_length_b   6.312
_cell_length_c   7.756
_cell_angle_alpha   114.012
_cell_angle_beta   114.012
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.745
_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
  Zn  Zn0  1  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.750  0.250  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.901  0.875  0.250  1.0
  Sb  Sb5  1  0.625  0.099  0.750  1.0
  Sb  Sb6  1  0.125  0.651  0.750  1.0
  Sb  Sb7  1  0.349  0.375  0.250  1.0
[/CIF]
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The material described by Sb2SnZn is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Zn(1) is bonded to four equivalent Sb(1) atoms to form ZnSb4 tetrahedra that share corners with four equivalent Zn(1)Sb4 tetrahedra and corners with eight equivalent Sn(1)Sb4 tetrahedra. Sn(1) is bonded to four equivalent Sb(1) atoms to form SnSb4 tetrahedra that share corners with four equivalent Sn(1)Sb4 tetrahedra and corners with eight equivalent Zn(1)Sb4 tetrahedra. Sb(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form corner-sharing SbZn2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_ZnSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.312
_cell_length_b   6.312
_cell_length_c   7.756
_cell_angle_alpha   114.012
_cell_angle_beta   114.012
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.745
_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
  Zn  Zn0  1  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.750  0.250  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.901  0.875  0.250  1.0
  Sb  Sb5  1  0.625  0.099  0.750  1.0
  Sb  Sb6  1  0.125  0.651  0.750  1.0
  Sb  Sb7  1  0.349  0.375  0.250  1.0
[/CIF]
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