The compound described by Zr5CrSb2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Sb(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Cr(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Zr(2) and eight equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr5CrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   8.367
_cell_length_c   8.367
_cell_angle_alpha   83.633
_cell_angle_beta   70.548
_cell_angle_gamma   70.548
_symmetry_Int_Tables_number   1
_cell_volume   346.918
_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
  Zr  Zr0  1  0.073  0.130  0.725  1.0
  Zr  Zr1  1  0.927  0.870  0.275  1.0
  Zr  Zr2  1  0.797  0.275  0.130  1.0
  Zr  Zr3  1  0.427  0.275  0.870  1.0
  Zr  Zr4  1  0.203  0.725  0.870  1.0
  Zr  Zr5  1  0.573  0.725  0.130  1.0
  Zr  Zr6  1  0.703  0.870  0.725  1.0
  Zr  Zr7  1  0.297  0.130  0.275  1.0
  Zr  Zr8  1  0.250  0.500  0.500  1.0
  Zr  Zr9  1  0.750  0.500  0.500  1.0
  Cr  Cr10  1  0.250  0.000  0.000  1.0
  Cr  Cr11  1  0.750  0.000  0.000  1.0
  Sb  Sb12  1  0.163  0.500  0.174  1.0
  Sb  Sb13  1  0.837  0.500  0.826  1.0
  Sb  Sb14  1  0.337  0.826  0.500  1.0
  Sb  Sb15  1  0.663  0.174  0.500  1.0
[/CIF]
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The compound described by Zr5CrSb2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Sb(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Cr(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Zr(2) and eight equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr5CrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   8.367
_cell_length_c   8.367
_cell_angle_alpha   83.633
_cell_angle_beta   70.548
_cell_angle_gamma   70.548
_symmetry_Int_Tables_number   1
_cell_volume   346.918
_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
  Zr  Zr0  1  0.073  0.130  0.725  1.0
  Zr  Zr1  1  0.927  0.870  0.275  1.0
  Zr  Zr2  1  0.797  0.275  0.130  1.0
  Zr  Zr3  1  0.427  0.275  0.870  1.0
  Zr  Zr4  1  0.203  0.725  0.870  1.0
  Zr  Zr5  1  0.573  0.725  0.130  1.0
  Zr  Zr6  1  0.703  0.870  0.725  1.0
  Zr  Zr7  1  0.297  0.130  0.275  1.0
  Zr  Zr8  1  0.250  0.500  0.500  1.0
  Zr  Zr9  1  0.750  0.500  0.500  1.0
  Cr  Cr10  1  0.250  0.000  0.000  1.0
  Cr  Cr11  1  0.750  0.000  0.000  1.0
  Sb  Sb12  1  0.163  0.500  0.174  1.0
  Sb  Sb13  1  0.837  0.500  0.826  1.0
  Sb  Sb14  1  0.337  0.826  0.500  1.0
  Sb  Sb15  1  0.663  0.174  0.500  1.0
[/CIF]
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