The compound described by W5Zr3 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 10-coordinate geometry to two equivalent W(2) and eight equivalent W(1) atoms. In the second Zr site, Zr(2) is bonded in a 10-coordinate geometry to two equivalent Zr(2) and eight equivalent W(1) atoms. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 14-coordinate geometry to four equivalent Zr(1), two equivalent W(2), and eight equivalent W(1) atoms. In the second W site, W(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), and two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.993
_cell_length_b   7.993
_cell_length_c   7.993
_cell_angle_alpha   96.342
_cell_angle_beta   96.342
_cell_angle_gamma   141.175
_symmetry_Int_Tables_number   1
_cell_volume   301.938
_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  0.688  0.188  0.876  1.0
  Zr  Zr1  1  0.312  0.812  0.124  1.0
  Zr  Zr2  1  0.812  0.688  0.500  1.0
  Zr  Zr3  1  0.188  0.312  0.500  1.0
  Zr  Zr4  1  0.750  0.750  0.000  1.0
  Zr  Zr5  1  0.250  0.250  0.000  1.0
  W  W6  1  0.258  0.058  0.317  1.0
  W  W7  1  0.742  0.942  0.683  1.0
  W  W8  1  0.242  0.558  0.800  1.0
  W  W9  1  0.758  0.442  0.200  1.0
  W  W10  1  0.058  0.742  0.800  1.0
  W  W11  1  0.942  0.258  0.200  1.0
  W  W12  1  0.558  0.758  0.317  1.0
  W  W13  1  0.442  0.242  0.683  1.0
  W  W14  1  0.250  0.750  0.500  1.0
  W  W15  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by W5Zr3 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 10-coordinate geometry to two equivalent W(2) and eight equivalent W(1) atoms. In the second Zr site, Zr(2) is bonded in a 10-coordinate geometry to two equivalent Zr(2) and eight equivalent W(1) atoms. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 14-coordinate geometry to four equivalent Zr(1), two equivalent W(2), and eight equivalent W(1) atoms. In the second W site, W(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), and two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.993
_cell_length_b   7.993
_cell_length_c   7.993
_cell_angle_alpha   96.342
_cell_angle_beta   96.342
_cell_angle_gamma   141.175
_symmetry_Int_Tables_number   1
_cell_volume   301.938
_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  0.688  0.188  0.876  1.0
  Zr  Zr1  1  0.312  0.812  0.124  1.0
  Zr  Zr2  1  0.812  0.688  0.500  1.0
  Zr  Zr3  1  0.188  0.312  0.500  1.0
  Zr  Zr4  1  0.750  0.750  0.000  1.0
  Zr  Zr5  1  0.250  0.250  0.000  1.0
  W  W6  1  0.258  0.058  0.317  1.0
  W  W7  1  0.742  0.942  0.683  1.0
  W  W8  1  0.242  0.558  0.800  1.0
  W  W9  1  0.758  0.442  0.200  1.0
  W  W10  1  0.058  0.742  0.800  1.0
  W  W11  1  0.942  0.258  0.200  1.0
  W  W12  1  0.558  0.758  0.317  1.0
  W  W13  1  0.442  0.242  0.683  1.0
  W  W14  1  0.250  0.750  0.500  1.0
  W  W15  1  0.750  0.250  0.500  1.0
[/CIF]
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