The material structure described by Li23Sr6 crystallizes in the cubic Fm-3m space group. There are four inequivalent Li sites. In the first Li site, Li(4) is bonded in a distorted q6 geometry to three equivalent Li(2), three equivalent Li(3), three equivalent Li(4), and three equivalent Sr(1) atoms. In the second Li site, Li(1) is bonded in a body-centered cubic geometry to eight equivalent Li(3) atoms. In the third Li site, Li(2) is bonded to four equivalent Li(3), four equivalent Li(4), and four equivalent Sr(1) atoms to form a mixture of face and corner-sharing LiSr4Li8 cuboctahedra. In the fourth Li site, Li(3) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Li(4), and three equivalent Sr(1) atoms. Sr(1) is bonded in a 16-coordinate geometry to four equivalent Li(2), four equivalent Li(3), four equivalent Li(4), and four equivalent Sr(1) atoms. is represented by the CIF file [CIF]
data_Sr6Li23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.498
_cell_length_b   10.498
_cell_length_c   10.498
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   817.980
_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
  Sr  Sr0  1  0.206  0.206  0.794  1.0
  Sr  Sr1  1  0.206  0.794  0.794  1.0
  Sr  Sr2  1  0.794  0.206  0.206  1.0
  Sr  Sr3  1  0.206  0.794  0.206  1.0
  Sr  Sr4  1  0.794  0.206  0.794  1.0
  Sr  Sr5  1  0.794  0.794  0.206  1.0
  Li  Li6  1  0.500  0.500  0.500  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Li  Li8  1  0.000  0.500  0.500  1.0
  Li  Li9  1  0.500  0.000  0.000  1.0
  Li  Li10  1  0.000  0.000  0.500  1.0
  Li  Li11  1  0.000  0.500  0.000  1.0
  Li  Li12  1  0.500  0.000  0.500  1.0
  Li  Li13  1  0.622  0.135  0.622  1.0
  Li  Li14  1  0.378  0.378  0.865  1.0
  Li  Li15  1  0.865  0.378  0.378  1.0
  Li  Li16  1  0.378  0.378  0.378  1.0
  Li  Li17  1  0.135  0.622  0.622  1.0
  Li  Li18  1  0.622  0.622  0.622  1.0
  Li  Li19  1  0.622  0.622  0.135  1.0
  Li  Li20  1  0.378  0.865  0.378  1.0
  Li  Li21  1  0.822  0.533  0.822  1.0
  Li  Li22  1  0.178  0.178  0.467  1.0
  Li  Li23  1  0.467  0.178  0.178  1.0
  Li  Li24  1  0.178  0.178  0.178  1.0
  Li  Li25  1  0.533  0.822  0.822  1.0
  Li  Li26  1  0.822  0.822  0.822  1.0
  Li  Li27  1  0.822  0.822  0.533  1.0
  Li  Li28  1  0.178  0.467  0.178  1.0
[/CIF]
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The material structure described by Li23Sr6 crystallizes in the cubic Fm-3m space group. There are four inequivalent Li sites. In the first Li site, Li(4) is bonded in a distorted q6 geometry to three equivalent Li(2), three equivalent Li(3), three equivalent Li(4), and three equivalent Sr(1) atoms. In the second Li site, Li(1) is bonded in a body-centered cubic geometry to eight equivalent Li(3) atoms. In the third Li site, Li(2) is bonded to four equivalent Li(3), four equivalent Li(4), and four equivalent Sr(1) atoms to form a mixture of face and corner-sharing LiSr4Li8 cuboctahedra. In the fourth Li site, Li(3) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Li(4), and three equivalent Sr(1) atoms. Sr(1) is bonded in a 16-coordinate geometry to four equivalent Li(2), four equivalent Li(3), four equivalent Li(4), and four equivalent Sr(1) atoms. is represented by the CIF file [CIF]
data_Sr6Li23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.498
_cell_length_b   10.498
_cell_length_c   10.498
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   817.980
_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
  Sr  Sr0  1  0.206  0.206  0.794  1.0
  Sr  Sr1  1  0.206  0.794  0.794  1.0
  Sr  Sr2  1  0.794  0.206  0.206  1.0
  Sr  Sr3  1  0.206  0.794  0.206  1.0
  Sr  Sr4  1  0.794  0.206  0.794  1.0
  Sr  Sr5  1  0.794  0.794  0.206  1.0
  Li  Li6  1  0.500  0.500  0.500  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Li  Li8  1  0.000  0.500  0.500  1.0
  Li  Li9  1  0.500  0.000  0.000  1.0
  Li  Li10  1  0.000  0.000  0.500  1.0
  Li  Li11  1  0.000  0.500  0.000  1.0
  Li  Li12  1  0.500  0.000  0.500  1.0
  Li  Li13  1  0.622  0.135  0.622  1.0
  Li  Li14  1  0.378  0.378  0.865  1.0
  Li  Li15  1  0.865  0.378  0.378  1.0
  Li  Li16  1  0.378  0.378  0.378  1.0
  Li  Li17  1  0.135  0.622  0.622  1.0
  Li  Li18  1  0.622  0.622  0.622  1.0
  Li  Li19  1  0.622  0.622  0.135  1.0
  Li  Li20  1  0.378  0.865  0.378  1.0
  Li  Li21  1  0.822  0.533  0.822  1.0
  Li  Li22  1  0.178  0.178  0.467  1.0
  Li  Li23  1  0.467  0.178  0.178  1.0
  Li  Li24  1  0.178  0.178  0.178  1.0
  Li  Li25  1  0.533  0.822  0.822  1.0
  Li  Li26  1  0.822  0.822  0.822  1.0
  Li  Li27  1  0.822  0.822  0.533  1.0
  Li  Li28  1  0.178  0.467  0.178  1.0
[/CIF]
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