The material described by NaBa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to twelve equivalent Ba(1) atoms to form NaBa12 cuboctahedra that share corners with twelve equivalent Na(1)Ba12 cuboctahedra, edges with twenty-four equivalent Ba(1)Ba8Na4 cuboctahedra, faces with six equivalent Na(1)Ba12 cuboctahedra, and faces with twelve equivalent Ba(1)Ba8Na4 cuboctahedra. Ba(1) is bonded to four equivalent Na(1) and eight equivalent Ba(1) atoms to form BaBa8Na4 cuboctahedra that share corners with twelve equivalent Ba(1)Ba8Na4 cuboctahedra, edges with eight equivalent Na(1)Ba12 cuboctahedra, edges with sixteen equivalent Ba(1)Ba8Na4 cuboctahedra, faces with four equivalent Na(1)Ba12 cuboctahedra, and faces with fourteen equivalent Ba(1)Ba8Na4 cuboctahedra. is represented by the CIF card [CIF]
data_Ba3Na
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.233
_cell_length_c   6.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.106
_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
  Ba  Ba0  1  0.000  0.500  0.500  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by NaBa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to twelve equivalent Ba(1) atoms to form NaBa12 cuboctahedra that share corners with twelve equivalent Na(1)Ba12 cuboctahedra, edges with twenty-four equivalent Ba(1)Ba8Na4 cuboctahedra, faces with six equivalent Na(1)Ba12 cuboctahedra, and faces with twelve equivalent Ba(1)Ba8Na4 cuboctahedra. Ba(1) is bonded to four equivalent Na(1) and eight equivalent Ba(1) atoms to form BaBa8Na4 cuboctahedra that share corners with twelve equivalent Ba(1)Ba8Na4 cuboctahedra, edges with eight equivalent Na(1)Ba12 cuboctahedra, edges with sixteen equivalent Ba(1)Ba8Na4 cuboctahedra, faces with four equivalent Na(1)Ba12 cuboctahedra, and faces with fourteen equivalent Ba(1)Ba8Na4 cuboctahedra. is represented by the CIF card [CIF]
data_Ba3Na
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.233
_cell_length_c   6.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.106
_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
  Ba  Ba0  1  0.000  0.500  0.500  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
[/CIF]
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