The material described by Na2Cs is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 16-coordinate geometry to four equivalent Cs(1), three equivalent Na(1), and nine equivalent Na(2) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to six equivalent Cs(1) and six equivalent Na(2) atoms to form a mixture of edge, face, and corner-sharing NaCs6Na6 cuboctahedra. In the second Na site, Na(2) is bonded to six equivalent Cs(1), two equivalent Na(1), and four equivalent Na(2) atoms to form a mixture of edge, face, and corner-sharing NaCs6Na6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   13.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   698.831
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.333  0.667  0.438  1.0
  Cs  Cs1  1  0.667  0.333  0.562  1.0
  Cs  Cs2  1  0.667  0.333  0.938  1.0
  Cs  Cs3  1  0.333  0.667  0.062  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.836  0.164  0.250  1.0
  Na  Na7  1  0.836  0.672  0.250  1.0
  Na  Na8  1  0.328  0.164  0.250  1.0
  Na  Na9  1  0.164  0.836  0.750  1.0
  Na  Na10  1  0.164  0.328  0.750  1.0
  Na  Na11  1  0.672  0.836  0.750  1.0
[/CIF]
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The material described by Na2Cs is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 16-coordinate geometry to four equivalent Cs(1), three equivalent Na(1), and nine equivalent Na(2) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to six equivalent Cs(1) and six equivalent Na(2) atoms to form a mixture of edge, face, and corner-sharing NaCs6Na6 cuboctahedra. In the second Na site, Na(2) is bonded to six equivalent Cs(1), two equivalent Na(1), and four equivalent Na(2) atoms to form a mixture of edge, face, and corner-sharing NaCs6Na6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   13.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   698.831
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.333  0.667  0.438  1.0
  Cs  Cs1  1  0.667  0.333  0.562  1.0
  Cs  Cs2  1  0.667  0.333  0.938  1.0
  Cs  Cs3  1  0.333  0.667  0.062  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.836  0.164  0.250  1.0
  Na  Na7  1  0.836  0.672  0.250  1.0
  Na  Na8  1  0.328  0.164  0.250  1.0
  Na  Na9  1  0.164  0.836  0.750  1.0
  Na  Na10  1  0.164  0.328  0.750  1.0
  Na  Na11  1  0.672  0.836  0.750  1.0
[/CIF]
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