The structure described by Na3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to eight equivalent Na(1) and four equivalent Zr(1) atoms to form distorted NaNa8Zr4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Zr4 cuboctahedra, faces with four equivalent Zr(1)Na12 cuboctahedra, and faces with fourteen equivalent Na(1)Na8Zr4 cuboctahedra. Zr(1) is bonded to twelve equivalent Na(1) atoms to form ZrNa12 cuboctahedra that share corners with twelve equivalent Zr(1)Na12 cuboctahedra, edges with twenty-four equivalent Na(1)Na8Zr4 cuboctahedra, faces with six equivalent Zr(1)Na12 cuboctahedra, and faces with twelve equivalent Na(1)Na8Zr4 cuboctahedra. is represented by the CIF card [CIF]
data_Na3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.879
_cell_length_b   4.879
_cell_length_c   4.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.160
_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
  Na  Na0  1  0.000  0.500  0.500  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Zr  Zr3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Na3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to eight equivalent Na(1) and four equivalent Zr(1) atoms to form distorted NaNa8Zr4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Zr4 cuboctahedra, faces with four equivalent Zr(1)Na12 cuboctahedra, and faces with fourteen equivalent Na(1)Na8Zr4 cuboctahedra. Zr(1) is bonded to twelve equivalent Na(1) atoms to form ZrNa12 cuboctahedra that share corners with twelve equivalent Zr(1)Na12 cuboctahedra, edges with twenty-four equivalent Na(1)Na8Zr4 cuboctahedra, faces with six equivalent Zr(1)Na12 cuboctahedra, and faces with twelve equivalent Na(1)Na8Zr4 cuboctahedra. is represented by the CIF card [CIF]
data_Na3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.879
_cell_length_b   4.879
_cell_length_c   4.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.160
_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
  Na  Na0  1  0.000  0.500  0.500  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Zr  Zr3  1  0.000  0.000  0.000  1.0
[/CIF]
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