The material described by Ta crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ta(2) and four equivalent Ta(4) atoms. In the second Ta site, Ta(4) is bonded in a 9-coordinate geometry to one Ta(4), two equivalent Ta(1), two equivalent Ta(3), and four equivalent Ta(2) atoms. In the third Ta site, Ta(2) is bonded in a 8-coordinate geometry to one Ta(1), one Ta(2), two equivalent Ta(4), and four equivalent Ta(3) atoms. In the fourth Ta site, Ta(3) is bonded in a 10-coordinate geometry to one Ta(4), four equivalent Ta(2), and five equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.517
_cell_length_b   10.517
_cell_length_c   4.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   527.135
_cell_formula_units_Z   22
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  0.500  0.500  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.758  0.432  0.500  1.0
  Ta  Ta3  1  0.242  0.568  0.500  1.0
  Ta  Ta4  1  0.932  0.742  0.000  1.0
  Ta  Ta5  1  0.068  0.258  0.000  1.0
  Ta  Ta6  1  0.432  0.758  0.500  1.0
  Ta  Ta7  1  0.568  0.242  0.500  1.0
  Ta  Ta8  1  0.258  0.068  0.000  1.0
  Ta  Ta9  1  0.742  0.932  0.000  1.0
  Ta  Ta10  1  0.035  0.378  0.500  1.0
  Ta  Ta11  1  0.965  0.622  0.500  1.0
  Ta  Ta12  1  0.878  0.465  0.000  1.0
  Ta  Ta13  1  0.122  0.535  0.000  1.0
  Ta  Ta14  1  0.378  0.035  0.500  1.0
  Ta  Ta15  1  0.622  0.965  0.500  1.0
  Ta  Ta16  1  0.535  0.122  0.000  1.0
  Ta  Ta17  1  0.465  0.878  0.000  1.0
  Ta  Ta18  1  0.102  0.102  0.500  1.0
  Ta  Ta19  1  0.898  0.898  0.500  1.0
  Ta  Ta20  1  0.602  0.398  0.000  1.0
  Ta  Ta21  1  0.398  0.602  0.000  1.0
[/CIF]
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The material described by Ta crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ta(2) and four equivalent Ta(4) atoms. In the second Ta site, Ta(4) is bonded in a 9-coordinate geometry to one Ta(4), two equivalent Ta(1), two equivalent Ta(3), and four equivalent Ta(2) atoms. In the third Ta site, Ta(2) is bonded in a 8-coordinate geometry to one Ta(1), one Ta(2), two equivalent Ta(4), and four equivalent Ta(3) atoms. In the fourth Ta site, Ta(3) is bonded in a 10-coordinate geometry to one Ta(4), four equivalent Ta(2), and five equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.517
_cell_length_b   10.517
_cell_length_c   4.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   527.135
_cell_formula_units_Z   22
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  0.500  0.500  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.758  0.432  0.500  1.0
  Ta  Ta3  1  0.242  0.568  0.500  1.0
  Ta  Ta4  1  0.932  0.742  0.000  1.0
  Ta  Ta5  1  0.068  0.258  0.000  1.0
  Ta  Ta6  1  0.432  0.758  0.500  1.0
  Ta  Ta7  1  0.568  0.242  0.500  1.0
  Ta  Ta8  1  0.258  0.068  0.000  1.0
  Ta  Ta9  1  0.742  0.932  0.000  1.0
  Ta  Ta10  1  0.035  0.378  0.500  1.0
  Ta  Ta11  1  0.965  0.622  0.500  1.0
  Ta  Ta12  1  0.878  0.465  0.000  1.0
  Ta  Ta13  1  0.122  0.535  0.000  1.0
  Ta  Ta14  1  0.378  0.035  0.500  1.0
  Ta  Ta15  1  0.622  0.965  0.500  1.0
  Ta  Ta16  1  0.535  0.122  0.000  1.0
  Ta  Ta17  1  0.465  0.878  0.000  1.0
  Ta  Ta18  1  0.102  0.102  0.500  1.0
  Ta  Ta19  1  0.898  0.898  0.500  1.0
  Ta  Ta20  1  0.602  0.398  0.000  1.0
  Ta  Ta21  1  0.398  0.602  0.000  1.0
[/CIF]
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