The structure described by Na8TiAs4 crystallizes in the cubic Fd-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1) and six equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), six equivalent Na(2), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Na8TiAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.701
_cell_length_b   9.701
_cell_length_c   9.701
_cell_angle_alpha   59.994
_cell_angle_beta   59.994
_cell_angle_gamma   59.994
_symmetry_Int_Tables_number   1
_cell_volume   645.428
_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  0.625  0.625  0.125  1.0
  Na  Na1  1  0.625  0.125  0.625  1.0
  Na  Na2  1  0.125  0.625  0.625  1.0
  Na  Na3  1  0.625  0.625  0.625  1.0
  Na  Na4  1  0.029  0.471  0.471  1.0
  Na  Na5  1  0.779  0.221  0.221  1.0
  Na  Na6  1  0.471  0.029  0.471  1.0
  Na  Na7  1  0.471  0.471  0.029  1.0
  Na  Na8  1  0.029  0.029  0.471  1.0
  Na  Na9  1  0.029  0.471  0.029  1.0
  Na  Na10  1  0.471  0.029  0.029  1.0
  Na  Na11  1  0.779  0.221  0.779  1.0
  Na  Na12  1  0.221  0.779  0.221  1.0
  Na  Na13  1  0.221  0.221  0.779  1.0
  Na  Na14  1  0.779  0.779  0.221  1.0
  Na  Na15  1  0.221  0.779  0.779  1.0
  Ti  Ti16  1  0.750  0.750  0.750  1.0
  Ti  Ti17  1  0.500  0.500  0.500  1.0
  As  As18  1  0.855  0.855  0.435  1.0
  As  As19  1  0.855  0.435  0.855  1.0
  As  As20  1  0.395  0.395  0.815  1.0
  As  As21  1  0.395  0.815  0.395  1.0
  As  As22  1  0.815  0.395  0.395  1.0
  As  As23  1  0.855  0.855  0.855  1.0
  As  As24  1  0.435  0.855  0.855  1.0
  As  As25  1  0.395  0.395  0.395  1.0
[/CIF]
.
The structure described by Na8TiAs4 crystallizes in the cubic Fd-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1) and six equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), six equivalent Na(2), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Na8TiAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.701
_cell_length_b   9.701
_cell_length_c   9.701
_cell_angle_alpha   59.994
_cell_angle_beta   59.994
_cell_angle_gamma   59.994
_symmetry_Int_Tables_number   1
_cell_volume   645.428
_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  0.625  0.625  0.125  1.0
  Na  Na1  1  0.625  0.125  0.625  1.0
  Na  Na2  1  0.125  0.625  0.625  1.0
  Na  Na3  1  0.625  0.625  0.625  1.0
  Na  Na4  1  0.029  0.471  0.471  1.0
  Na  Na5  1  0.779  0.221  0.221  1.0
  Na  Na6  1  0.471  0.029  0.471  1.0
  Na  Na7  1  0.471  0.471  0.029  1.0
  Na  Na8  1  0.029  0.029  0.471  1.0
  Na  Na9  1  0.029  0.471  0.029  1.0
  Na  Na10  1  0.471  0.029  0.029  1.0
  Na  Na11  1  0.779  0.221  0.779  1.0
  Na  Na12  1  0.221  0.779  0.221  1.0
  Na  Na13  1  0.221  0.221  0.779  1.0
  Na  Na14  1  0.779  0.779  0.221  1.0
  Na  Na15  1  0.221  0.779  0.779  1.0
  Ti  Ti16  1  0.750  0.750  0.750  1.0
  Ti  Ti17  1  0.500  0.500  0.500  1.0
  As  As18  1  0.855  0.855  0.435  1.0
  As  As19  1  0.855  0.435  0.855  1.0
  As  As20  1  0.395  0.395  0.815  1.0
  As  As21  1  0.395  0.815  0.395  1.0
  As  As22  1  0.815  0.395  0.395  1.0
  As  As23  1  0.855  0.855  0.855  1.0
  As  As24  1  0.435  0.855  0.855  1.0
  As  As25  1  0.395  0.395  0.395  1.0
[/CIF]
.