The structure described by TaAs3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ta(1) is bonded to four equivalent As(2) and eight equivalent As(1) atoms to form TaAs12 cuboctahedra that share corners with four equivalent Ta(1)As12 cuboctahedra, edges with eight equivalent Ta(1)As12 cuboctahedra, edges with sixteen equivalent As(1)Ta4As8 cuboctahedra, faces with four equivalent Ta(1)As12 cuboctahedra, and faces with eight equivalent As(1)Ta4As8 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent Ta(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted AsTa4As8 cuboctahedra that share corners with twelve equivalent As(1)Ta4As8 cuboctahedra, edges with eight equivalent Ta(1)As12 cuboctahedra, edges with eight equivalent As(1)Ta4As8 cuboctahedra, faces with four equivalent Ta(1)As12 cuboctahedra, and faces with ten equivalent As(1)Ta4As8 cuboctahedra. In the second As site, As(2) is bonded in a square co-planar geometry to four equivalent Ta(1) and eight equivalent As(1) atoms. is represented by the CIF file [CIF]
data_TaAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.296
_cell_length_c   5.296
_cell_angle_alpha   135.805
_cell_angle_beta   135.805
_cell_angle_gamma   64.283
_symmetry_Int_Tables_number   1
_cell_volume   71.216
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  As  As1  1  0.750  0.250  0.500  1.0
  As  As2  1  0.250  0.750  0.500  1.0
  As  As3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by TaAs3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ta(1) is bonded to four equivalent As(2) and eight equivalent As(1) atoms to form TaAs12 cuboctahedra that share corners with four equivalent Ta(1)As12 cuboctahedra, edges with eight equivalent Ta(1)As12 cuboctahedra, edges with sixteen equivalent As(1)Ta4As8 cuboctahedra, faces with four equivalent Ta(1)As12 cuboctahedra, and faces with eight equivalent As(1)Ta4As8 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent Ta(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted AsTa4As8 cuboctahedra that share corners with twelve equivalent As(1)Ta4As8 cuboctahedra, edges with eight equivalent Ta(1)As12 cuboctahedra, edges with eight equivalent As(1)Ta4As8 cuboctahedra, faces with four equivalent Ta(1)As12 cuboctahedra, and faces with ten equivalent As(1)Ta4As8 cuboctahedra. In the second As site, As(2) is bonded in a square co-planar geometry to four equivalent Ta(1) and eight equivalent As(1) atoms. is represented by the CIF file [CIF]
data_TaAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.296
_cell_length_c   5.296
_cell_angle_alpha   135.805
_cell_angle_beta   135.805
_cell_angle_gamma   64.283
_symmetry_Int_Tables_number   1
_cell_volume   71.216
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  As  As1  1  0.750  0.250  0.500  1.0
  As  As2  1  0.250  0.750  0.500  1.0
  As  As3  1  0.500  0.500  0.000  1.0
[/CIF]
.