The material structure described by Na3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to eight equivalent Na(1) and four equivalent Ti(1) atoms to form distorted NaNa8Ti4 cuboctahedra that share corners with four equivalent Ti(1)Na12 cuboctahedra, corners with fourteen equivalent Na(1)Na8Ti4 cuboctahedra, edges with six equivalent Ti(1)Na12 cuboctahedra, edges with twelve equivalent Na(1)Na8Ti4 cuboctahedra, faces with four equivalent Ti(1)Na12 cuboctahedra, and faces with sixteen equivalent Na(1)Na8Ti4 cuboctahedra. Ti(1) is bonded to twelve equivalent Na(1) atoms to form TiNa12 cuboctahedra that share corners with six equivalent Ti(1)Na12 cuboctahedra, corners with twelve equivalent Na(1)Na8Ti4 cuboctahedra, edges with eighteen equivalent Na(1)Na8Ti4 cuboctahedra, faces with eight equivalent Ti(1)Na12 cuboctahedra, and faces with twelve equivalent Na(1)Na8Ti4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.020
_cell_length_b   7.020
_cell_length_c   5.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   246.275
_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
  Na  Na0  1  0.169  0.337  0.250  1.0
  Na  Na1  1  0.663  0.831  0.250  1.0
  Na  Na2  1  0.169  0.831  0.250  1.0
  Na  Na3  1  0.831  0.663  0.750  1.0
  Na  Na4  1  0.337  0.169  0.750  1.0
  Na  Na5  1  0.831  0.169  0.750  1.0
  Ti  Ti6  1  0.333  0.667  0.750  1.0
  Ti  Ti7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Na3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to eight equivalent Na(1) and four equivalent Ti(1) atoms to form distorted NaNa8Ti4 cuboctahedra that share corners with four equivalent Ti(1)Na12 cuboctahedra, corners with fourteen equivalent Na(1)Na8Ti4 cuboctahedra, edges with six equivalent Ti(1)Na12 cuboctahedra, edges with twelve equivalent Na(1)Na8Ti4 cuboctahedra, faces with four equivalent Ti(1)Na12 cuboctahedra, and faces with sixteen equivalent Na(1)Na8Ti4 cuboctahedra. Ti(1) is bonded to twelve equivalent Na(1) atoms to form TiNa12 cuboctahedra that share corners with six equivalent Ti(1)Na12 cuboctahedra, corners with twelve equivalent Na(1)Na8Ti4 cuboctahedra, edges with eighteen equivalent Na(1)Na8Ti4 cuboctahedra, faces with eight equivalent Ti(1)Na12 cuboctahedra, and faces with twelve equivalent Na(1)Na8Ti4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.020
_cell_length_b   7.020
_cell_length_c   5.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   246.275
_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
  Na  Na0  1  0.169  0.337  0.250  1.0
  Na  Na1  1  0.663  0.831  0.250  1.0
  Na  Na2  1  0.169  0.831  0.250  1.0
  Na  Na3  1  0.831  0.663  0.750  1.0
  Na  Na4  1  0.337  0.169  0.750  1.0
  Na  Na5  1  0.831  0.169  0.750  1.0
  Ti  Ti6  1  0.333  0.667  0.750  1.0
  Ti  Ti7  1  0.667  0.333  0.250  1.0
[/CIF]
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