The material structure described by Ti4As3 crystallizes in the cubic I-43d space group. Ti(1) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. As(1) is bonded to eight equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing AsTi8 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Ti4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   6.641
_cell_length_c   6.641
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   225.512
_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
  Ti  Ti0  1  1.000  0.350  0.500  1.0
  Ti  Ti1  1  0.500  0.000  0.350  1.0
  Ti  Ti2  1  0.850  0.500  1.000  1.0
  Ti  Ti3  1  0.150  0.150  0.150  1.0
  Ti  Ti4  1  0.500  0.000  0.850  1.0
  Ti  Ti5  1  0.650  0.650  0.650  1.0
  Ti  Ti6  1  1.000  0.850  0.500  1.0
  Ti  Ti7  1  0.350  0.500  1.000  1.0
  As  As8  1  0.750  0.875  0.125  1.0
  As  As9  1  0.875  0.125  0.750  1.0
  As  As10  1  0.625  0.375  0.250  1.0
  As  As11  1  0.250  0.625  0.375  1.0
  As  As12  1  0.125  0.750  0.875  1.0
  As  As13  1  0.375  0.250  0.625  1.0
[/CIF]
.
The material structure described by Ti4As3 crystallizes in the cubic I-43d space group. Ti(1) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. As(1) is bonded to eight equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing AsTi8 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Ti4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   6.641
_cell_length_c   6.641
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   225.512
_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
  Ti  Ti0  1  1.000  0.350  0.500  1.0
  Ti  Ti1  1  0.500  0.000  0.350  1.0
  Ti  Ti2  1  0.850  0.500  1.000  1.0
  Ti  Ti3  1  0.150  0.150  0.150  1.0
  Ti  Ti4  1  0.500  0.000  0.850  1.0
  Ti  Ti5  1  0.650  0.650  0.650  1.0
  Ti  Ti6  1  1.000  0.850  0.500  1.0
  Ti  Ti7  1  0.350  0.500  1.000  1.0
  As  As8  1  0.750  0.875  0.125  1.0
  As  As9  1  0.875  0.125  0.750  1.0
  As  As10  1  0.625  0.375  0.250  1.0
  As  As11  1  0.250  0.625  0.375  1.0
  As  As12  1  0.125  0.750  0.875  1.0
  As  As13  1  0.375  0.250  0.625  1.0
[/CIF]
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