The material described by Ce2ZnSb4 crystallizes in the tetragonal P-4m2 space group. Ce(1) is bonded in a 10-coordinate geometry to two equivalent Zn(1), two equivalent Sb(1), two equivalent Sb(2), and four equivalent Sb(3) atoms. Zn(1) is bonded to four equivalent Ce(1) and four equivalent Sb(3) atoms to form distorted edge-sharing ZnCe4Sb4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to four equivalent Ce(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Ce2ZnSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.402
_cell_length_b   4.403
_cell_length_c   10.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.816
_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
  Ce  Ce0  1  0.500  0.000  0.749  1.0
  Ce  Ce1  1  0.000  0.500  0.251  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.000  0.348  1.0
  Sb  Sb6  1  0.000  0.500  0.652  1.0
[/CIF]
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The material described by Ce2ZnSb4 crystallizes in the tetragonal P-4m2 space group. Ce(1) is bonded in a 10-coordinate geometry to two equivalent Zn(1), two equivalent Sb(1), two equivalent Sb(2), and four equivalent Sb(3) atoms. Zn(1) is bonded to four equivalent Ce(1) and four equivalent Sb(3) atoms to form distorted edge-sharing ZnCe4Sb4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to four equivalent Ce(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Ce2ZnSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.402
_cell_length_b   4.403
_cell_length_c   10.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.816
_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
  Ce  Ce0  1  0.500  0.000  0.749  1.0
  Ce  Ce1  1  0.000  0.500  0.251  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.000  0.348  1.0
  Sb  Sb6  1  0.000  0.500  0.652  1.0
[/CIF]
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