The material structure described by Ta5As4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to five equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing TaAs5 trigonal bipyramids. In the second Ta site, Ta(2) is bonded in a distorted square co-planar geometry to four equivalent As(1) atoms. As(1) is bonded in a 6-coordinate geometry to one Ta(2) and five equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Ta5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.450
_cell_length_b   7.169
_cell_length_c   7.169
_cell_angle_alpha   86.682
_cell_angle_beta   76.079
_cell_angle_gamma   76.079
_symmetry_Int_Tables_number   1
_cell_volume   167.036
_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  0.695  0.937  0.674  1.0
  Ta  Ta1  1  0.368  0.326  0.937  1.0
  Ta  Ta2  1  0.632  0.674  0.063  1.0
  Ta  Ta3  1  0.305  0.063  0.326  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.948  0.769  0.335  1.0
  As  As6  1  0.283  0.665  0.769  1.0
  As  As7  1  0.717  0.335  0.231  1.0
  As  As8  1  0.052  0.231  0.665  1.0
[/CIF]
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The material structure described by Ta5As4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to five equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing TaAs5 trigonal bipyramids. In the second Ta site, Ta(2) is bonded in a distorted square co-planar geometry to four equivalent As(1) atoms. As(1) is bonded in a 6-coordinate geometry to one Ta(2) and five equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Ta5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.450
_cell_length_b   7.169
_cell_length_c   7.169
_cell_angle_alpha   86.682
_cell_angle_beta   76.079
_cell_angle_gamma   76.079
_symmetry_Int_Tables_number   1
_cell_volume   167.036
_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  0.695  0.937  0.674  1.0
  Ta  Ta1  1  0.368  0.326  0.937  1.0
  Ta  Ta2  1  0.632  0.674  0.063  1.0
  Ta  Ta3  1  0.305  0.063  0.326  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.948  0.769  0.335  1.0
  As  As6  1  0.283  0.665  0.769  1.0
  As  As7  1  0.717  0.335  0.231  1.0
  As  As8  1  0.052  0.231  0.665  1.0
[/CIF]
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