The compound described by UZr2 crystallizes in the hexagonal P-6m2 space group. U(1) is bonded in a 11-coordinate geometry to two equivalent U(1), three equivalent Zr(2), and six equivalent Zr(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 14-coordinate geometry to six equivalent U(1), two equivalent Zr(1), and six equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to three equivalent U(1), two equivalent Zr(2), and six equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr2U
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.044
_cell_length_b   5.086
_cell_length_c   5.093
_cell_angle_alpha   59.955
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.264
_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
  Zr  Zr0  1  0.000  0.000  1.000  1.0
  Zr  Zr1  1  0.500  0.333  0.333  1.0
  U  U2  1  0.500  0.666  0.667  1.0
[/CIF]
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The compound described by UZr2 crystallizes in the hexagonal P-6m2 space group. U(1) is bonded in a 11-coordinate geometry to two equivalent U(1), three equivalent Zr(2), and six equivalent Zr(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 14-coordinate geometry to six equivalent U(1), two equivalent Zr(1), and six equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to three equivalent U(1), two equivalent Zr(2), and six equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr2U
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.044
_cell_length_b   5.086
_cell_length_c   5.093
_cell_angle_alpha   59.955
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.264
_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
  Zr  Zr0  1  0.000  0.000  1.000  1.0
  Zr  Zr1  1  0.500  0.333  0.333  1.0
  U  U2  1  0.500  0.666  0.667  1.0
[/CIF]
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