The compound described by Ti5As3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Ti(2) and five equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti5As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   7.560
_cell_length_c   7.560
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.226
_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  0.750  0.745  0.745  1.0
  Ti  Ti1  1  0.250  0.255  0.255  1.0
  Ti  Ti2  1  0.750  0.000  0.255  1.0
  Ti  Ti3  1  0.250  0.000  0.745  1.0
  Ti  Ti4  1  0.750  0.255  0.000  1.0
  Ti  Ti5  1  0.250  0.745  0.000  1.0
  Ti  Ti6  1  0.000  0.667  0.333  1.0
  Ti  Ti7  1  0.000  0.333  0.667  1.0
  Ti  Ti8  1  0.500  0.333  0.667  1.0
  Ti  Ti9  1  0.500  0.667  0.333  1.0
  As  As10  1  0.750  0.385  0.385  1.0
  As  As11  1  0.250  0.615  0.615  1.0
  As  As12  1  0.750  0.000  0.615  1.0
  As  As13  1  0.250  0.000  0.385  1.0
  As  As14  1  0.750  0.615  0.000  1.0
  As  As15  1  0.250  0.385  0.000  1.0
[/CIF]
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The compound described by Ti5As3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Ti(2) and five equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti5As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   7.560
_cell_length_c   7.560
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.226
_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  0.750  0.745  0.745  1.0
  Ti  Ti1  1  0.250  0.255  0.255  1.0
  Ti  Ti2  1  0.750  0.000  0.255  1.0
  Ti  Ti3  1  0.250  0.000  0.745  1.0
  Ti  Ti4  1  0.750  0.255  0.000  1.0
  Ti  Ti5  1  0.250  0.745  0.000  1.0
  Ti  Ti6  1  0.000  0.667  0.333  1.0
  Ti  Ti7  1  0.000  0.333  0.667  1.0
  Ti  Ti8  1  0.500  0.333  0.667  1.0
  Ti  Ti9  1  0.500  0.667  0.333  1.0
  As  As10  1  0.750  0.385  0.385  1.0
  As  As11  1  0.250  0.615  0.615  1.0
  As  As12  1  0.750  0.000  0.615  1.0
  As  As13  1  0.250  0.000  0.385  1.0
  As  As14  1  0.750  0.615  0.000  1.0
  As  As15  1  0.250  0.385  0.000  1.0
[/CIF]
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