The material structure described by Li(Zn)13 crystallizes in the cubic Fm-3c space group. The structure consists of eight 7439-93-2 atoms inside a Zn framework. In the Zn framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a cuboctahedral geometry to twelve equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to one Zn(1) and nine equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiZn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.508
_cell_length_b   8.508
_cell_length_c   8.508
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   435.500
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Li  Li1  1  0.750  0.750  0.750  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.939  0.061  0.300  1.0
  Zn  Zn5  1  0.300  0.700  0.939  1.0
  Zn  Zn6  1  0.061  0.939  0.700  1.0
  Zn  Zn7  1  0.700  0.300  0.061  1.0
  Zn  Zn8  1  0.439  0.200  0.800  1.0
  Zn  Zn9  1  0.800  0.561  0.439  1.0
  Zn  Zn10  1  0.200  0.439  0.561  1.0
  Zn  Zn11  1  0.561  0.800  0.200  1.0
  Zn  Zn12  1  0.300  0.939  0.061  1.0
  Zn  Zn13  1  0.939  0.300  0.700  1.0
  Zn  Zn14  1  0.700  0.061  0.939  1.0
  Zn  Zn15  1  0.061  0.700  0.300  1.0
  Zn  Zn16  1  0.800  0.439  0.200  1.0
  Zn  Zn17  1  0.439  0.800  0.561  1.0
  Zn  Zn18  1  0.561  0.200  0.439  1.0
  Zn  Zn19  1  0.200  0.561  0.800  1.0
  Zn  Zn20  1  0.061  0.300  0.939  1.0
  Zn  Zn21  1  0.700  0.939  0.300  1.0
  Zn  Zn22  1  0.939  0.700  0.061  1.0
  Zn  Zn23  1  0.300  0.061  0.700  1.0
  Zn  Zn24  1  0.200  0.800  0.439  1.0
  Zn  Zn25  1  0.561  0.439  0.800  1.0
  Zn  Zn26  1  0.439  0.561  0.200  1.0
  Zn  Zn27  1  0.800  0.200  0.561  1.0
[/CIF]
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The material structure described by Li(Zn)13 crystallizes in the cubic Fm-3c space group. The structure consists of eight 7439-93-2 atoms inside a Zn framework. In the Zn framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a cuboctahedral geometry to twelve equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to one Zn(1) and nine equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiZn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.508
_cell_length_b   8.508
_cell_length_c   8.508
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   435.500
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Li  Li1  1  0.750  0.750  0.750  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.939  0.061  0.300  1.0
  Zn  Zn5  1  0.300  0.700  0.939  1.0
  Zn  Zn6  1  0.061  0.939  0.700  1.0
  Zn  Zn7  1  0.700  0.300  0.061  1.0
  Zn  Zn8  1  0.439  0.200  0.800  1.0
  Zn  Zn9  1  0.800  0.561  0.439  1.0
  Zn  Zn10  1  0.200  0.439  0.561  1.0
  Zn  Zn11  1  0.561  0.800  0.200  1.0
  Zn  Zn12  1  0.300  0.939  0.061  1.0
  Zn  Zn13  1  0.939  0.300  0.700  1.0
  Zn  Zn14  1  0.700  0.061  0.939  1.0
  Zn  Zn15  1  0.061  0.700  0.300  1.0
  Zn  Zn16  1  0.800  0.439  0.200  1.0
  Zn  Zn17  1  0.439  0.800  0.561  1.0
  Zn  Zn18  1  0.561  0.200  0.439  1.0
  Zn  Zn19  1  0.200  0.561  0.800  1.0
  Zn  Zn20  1  0.061  0.300  0.939  1.0
  Zn  Zn21  1  0.700  0.939  0.300  1.0
  Zn  Zn22  1  0.939  0.700  0.061  1.0
  Zn  Zn23  1  0.300  0.061  0.700  1.0
  Zn  Zn24  1  0.200  0.800  0.439  1.0
  Zn  Zn25  1  0.561  0.439  0.800  1.0
  Zn  Zn26  1  0.439  0.561  0.200  1.0
  Zn  Zn27  1  0.800  0.200  0.561  1.0
[/CIF]
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