The structure described by Ta3As crystallizes in the monoclinic C2/c space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. In the second Ta site, Ta(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. In the third Ta site, Ta(3) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. In the fourth Ta site, Ta(4) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the fifth Ta site, Ta(5) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the sixth Ta site, Ta(6) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   7.807
_cell_length_c   14.583
_cell_angle_alpha   90.333
_cell_angle_beta   90.000
_cell_angle_gamma   109.088
_symmetry_Int_Tables_number   1
_cell_volume   549.365
_cell_formula_units_Z   8
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  0.429  0.862  0.173  1.0
  Ta  Ta1  1  0.567  0.138  0.327  1.0
  Ta  Ta2  1  0.571  0.138  0.827  1.0
  Ta  Ta3  1  0.433  0.862  0.673  1.0
  Ta  Ta4  1  0.922  0.857  0.325  1.0
  Ta  Ta5  1  0.065  0.143  0.175  1.0
  Ta  Ta6  1  0.078  0.143  0.675  1.0
  Ta  Ta7  1  0.935  0.857  0.825  1.0
  Ta  Ta8  1  0.013  0.506  0.202  1.0
  Ta  Ta9  1  0.507  0.494  0.298  1.0
  Ta  Ta10  1  0.987  0.494  0.798  1.0
  Ta  Ta11  1  0.493  0.506  0.702  1.0
  Ta  Ta12  1  0.701  0.902  0.998  1.0
  Ta  Ta13  1  0.799  0.098  0.502  1.0
  Ta  Ta14  1  0.299  0.098  0.002  1.0
  Ta  Ta15  1  0.201  0.902  0.498  1.0
  Ta  Ta16  1  0.590  0.683  0.498  1.0
  Ta  Ta17  1  0.907  0.317  0.002  1.0
  Ta  Ta18  1  0.410  0.317  0.502  1.0
  Ta  Ta19  1  0.093  0.683  0.998  1.0
  Ta  Ta20  1  0.519  0.498  0.909  1.0
  Ta  Ta21  1  0.021  0.502  0.591  1.0
  Ta  Ta22  1  0.481  0.502  0.091  1.0
  Ta  Ta23  1  0.979  0.498  0.409  1.0
  As  As24  1  0.900  0.790  0.646  1.0
  As  As25  1  0.111  0.210  0.854  1.0
  As  As26  1  0.100  0.210  0.354  1.0
  As  As27  1  0.889  0.790  0.146  1.0
  As  As28  1  0.620  0.220  0.652  1.0
  As  As29  1  0.400  0.780  0.848  1.0
  As  As30  1  0.380  0.780  0.348  1.0
  As  As31  1  0.600  0.220  0.152  1.0
[/CIF]
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The structure described by Ta3As crystallizes in the monoclinic C2/c space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. In the second Ta site, Ta(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. In the third Ta site, Ta(3) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. In the fourth Ta site, Ta(4) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the fifth Ta site, Ta(5) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the sixth Ta site, Ta(6) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   7.807
_cell_length_c   14.583
_cell_angle_alpha   90.333
_cell_angle_beta   90.000
_cell_angle_gamma   109.088
_symmetry_Int_Tables_number   1
_cell_volume   549.365
_cell_formula_units_Z   8
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  0.429  0.862  0.173  1.0
  Ta  Ta1  1  0.567  0.138  0.327  1.0
  Ta  Ta2  1  0.571  0.138  0.827  1.0
  Ta  Ta3  1  0.433  0.862  0.673  1.0
  Ta  Ta4  1  0.922  0.857  0.325  1.0
  Ta  Ta5  1  0.065  0.143  0.175  1.0
  Ta  Ta6  1  0.078  0.143  0.675  1.0
  Ta  Ta7  1  0.935  0.857  0.825  1.0
  Ta  Ta8  1  0.013  0.506  0.202  1.0
  Ta  Ta9  1  0.507  0.494  0.298  1.0
  Ta  Ta10  1  0.987  0.494  0.798  1.0
  Ta  Ta11  1  0.493  0.506  0.702  1.0
  Ta  Ta12  1  0.701  0.902  0.998  1.0
  Ta  Ta13  1  0.799  0.098  0.502  1.0
  Ta  Ta14  1  0.299  0.098  0.002  1.0
  Ta  Ta15  1  0.201  0.902  0.498  1.0
  Ta  Ta16  1  0.590  0.683  0.498  1.0
  Ta  Ta17  1  0.907  0.317  0.002  1.0
  Ta  Ta18  1  0.410  0.317  0.502  1.0
  Ta  Ta19  1  0.093  0.683  0.998  1.0
  Ta  Ta20  1  0.519  0.498  0.909  1.0
  Ta  Ta21  1  0.021  0.502  0.591  1.0
  Ta  Ta22  1  0.481  0.502  0.091  1.0
  Ta  Ta23  1  0.979  0.498  0.409  1.0
  As  As24  1  0.900  0.790  0.646  1.0
  As  As25  1  0.111  0.210  0.854  1.0
  As  As26  1  0.100  0.210  0.354  1.0
  As  As27  1  0.889  0.790  0.146  1.0
  As  As28  1  0.620  0.220  0.652  1.0
  As  As29  1  0.400  0.780  0.848  1.0
  As  As30  1  0.380  0.780  0.348  1.0
  As  As31  1  0.600  0.220  0.152  1.0
[/CIF]
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