The crystal structure described by Lu6Zn23 crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a 12-coordinate geometry to four equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(4) is bonded in a 12-coordinate geometry to three equivalent Lu(1), three equivalent Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the second Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(3) atoms. In the third Zn site, Zn(2) is bonded to four equivalent Lu(1), four equivalent Zn(3), and four equivalent Zn(4) atoms to form a mixture of corner and face-sharing ZnLu4Zn8 cuboctahedra. In the fourth Zn site, Zn(3) is bonded in a 13-coordinate geometry to three equivalent Lu(1), one Zn(1), three equivalent Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.762
_cell_length_b   8.762
_cell_length_c   8.762
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   475.654
_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
  Lu  Lu0  1  0.704  0.704  0.296  1.0
  Lu  Lu1  1  0.296  0.704  0.296  1.0
  Lu  Lu2  1  0.704  0.296  0.296  1.0
  Lu  Lu3  1  0.296  0.296  0.704  1.0
  Lu  Lu4  1  0.704  0.296  0.704  1.0
  Lu  Lu5  1  0.296  0.704  0.704  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  Zn  Zn8  1  0.500  0.000  0.500  1.0
  Zn  Zn9  1  0.000  0.500  0.500  1.0
  Zn  Zn10  1  0.500  0.500  0.000  1.0
  Zn  Zn11  1  0.000  0.500  0.000  1.0
  Zn  Zn12  1  0.500  0.000  0.000  1.0
  Zn  Zn13  1  0.878  0.878  0.367  1.0
  Zn  Zn14  1  0.878  0.367  0.878  1.0
  Zn  Zn15  1  0.367  0.878  0.878  1.0
  Zn  Zn16  1  0.878  0.878  0.878  1.0
  Zn  Zn17  1  0.122  0.122  0.633  1.0
  Zn  Zn18  1  0.122  0.633  0.122  1.0
  Zn  Zn19  1  0.633  0.122  0.122  1.0
  Zn  Zn20  1  0.122  0.122  0.122  1.0
  Zn  Zn21  1  0.671  0.671  0.988  1.0
  Zn  Zn22  1  0.671  0.988  0.671  1.0
  Zn  Zn23  1  0.988  0.671  0.671  1.0
  Zn  Zn24  1  0.671  0.671  0.671  1.0
  Zn  Zn25  1  0.329  0.329  0.012  1.0
  Zn  Zn26  1  0.329  0.012  0.329  1.0
  Zn  Zn27  1  0.012  0.329  0.329  1.0
  Zn  Zn28  1  0.329  0.329  0.329  1.0
[/CIF]
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The crystal structure described by Lu6Zn23 crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a 12-coordinate geometry to four equivalent Zn(2), four equivalent Zn(3), and four equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(4) is bonded in a 12-coordinate geometry to three equivalent Lu(1), three equivalent Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the second Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(3) atoms. In the third Zn site, Zn(2) is bonded to four equivalent Lu(1), four equivalent Zn(3), and four equivalent Zn(4) atoms to form a mixture of corner and face-sharing ZnLu4Zn8 cuboctahedra. In the fourth Zn site, Zn(3) is bonded in a 13-coordinate geometry to three equivalent Lu(1), one Zn(1), three equivalent Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.762
_cell_length_b   8.762
_cell_length_c   8.762
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   475.654
_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
  Lu  Lu0  1  0.704  0.704  0.296  1.0
  Lu  Lu1  1  0.296  0.704  0.296  1.0
  Lu  Lu2  1  0.704  0.296  0.296  1.0
  Lu  Lu3  1  0.296  0.296  0.704  1.0
  Lu  Lu4  1  0.704  0.296  0.704  1.0
  Lu  Lu5  1  0.296  0.704  0.704  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  Zn  Zn8  1  0.500  0.000  0.500  1.0
  Zn  Zn9  1  0.000  0.500  0.500  1.0
  Zn  Zn10  1  0.500  0.500  0.000  1.0
  Zn  Zn11  1  0.000  0.500  0.000  1.0
  Zn  Zn12  1  0.500  0.000  0.000  1.0
  Zn  Zn13  1  0.878  0.878  0.367  1.0
  Zn  Zn14  1  0.878  0.367  0.878  1.0
  Zn  Zn15  1  0.367  0.878  0.878  1.0
  Zn  Zn16  1  0.878  0.878  0.878  1.0
  Zn  Zn17  1  0.122  0.122  0.633  1.0
  Zn  Zn18  1  0.122  0.633  0.122  1.0
  Zn  Zn19  1  0.633  0.122  0.122  1.0
  Zn  Zn20  1  0.122  0.122  0.122  1.0
  Zn  Zn21  1  0.671  0.671  0.988  1.0
  Zn  Zn22  1  0.671  0.988  0.671  1.0
  Zn  Zn23  1  0.988  0.671  0.671  1.0
  Zn  Zn24  1  0.671  0.671  0.671  1.0
  Zn  Zn25  1  0.329  0.329  0.012  1.0
  Zn  Zn26  1  0.329  0.012  0.329  1.0
  Zn  Zn27  1  0.012  0.329  0.329  1.0
  Zn  Zn28  1  0.329  0.329  0.329  1.0
[/CIF]
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