The material described by LuZrSb crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded to five equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing LuSb5 square pyramids. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to five equivalent Lu(1) and four equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuZrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.665
_cell_length_b   8.665
_cell_length_c   8.665
_cell_angle_alpha   151.660
_cell_angle_beta   151.660
_cell_angle_gamma   40.511
_symmetry_Int_Tables_number   1
_cell_volume   146.290
_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
  Lu  Lu0  1  0.675  0.675  0.000  1.0
  Lu  Lu1  1  0.325  0.325  0.000  1.0
  Zr  Zr2  1  0.000  0.500  0.500  1.0
  Zr  Zr3  1  0.500  0.000  0.500  1.0
  Sb  Sb4  1  0.137  0.137  0.000  1.0
  Sb  Sb5  1  0.863  0.863  0.000  1.0
[/CIF]
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The material described by LuZrSb crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded to five equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing LuSb5 square pyramids. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to five equivalent Lu(1) and four equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuZrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.665
_cell_length_b   8.665
_cell_length_c   8.665
_cell_angle_alpha   151.660
_cell_angle_beta   151.660
_cell_angle_gamma   40.511
_symmetry_Int_Tables_number   1
_cell_volume   146.290
_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
  Lu  Lu0  1  0.675  0.675  0.000  1.0
  Lu  Lu1  1  0.325  0.325  0.000  1.0
  Zr  Zr2  1  0.000  0.500  0.500  1.0
  Zr  Zr3  1  0.500  0.000  0.500  1.0
  Sb  Sb4  1  0.137  0.137  0.000  1.0
  Sb  Sb5  1  0.863  0.863  0.000  1.0
[/CIF]
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