The compound described by Ta5(NiP)4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to five equivalent P(1) atoms. In the second Ta site, Ta(2) is bonded in a square co-planar geometry to four equivalent P(1) atoms. Ni(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Ta(2), five equivalent Ta(1), and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ta5(NiP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.504
_cell_length_b   7.213
_cell_length_c   7.213
_cell_angle_alpha   86.618
_cell_angle_beta   75.943
_cell_angle_gamma   75.943
_symmetry_Int_Tables_number   1
_cell_volume   171.527
_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  0.869  0.326  0.936  1.0
  Ta  Ta1  1  0.131  0.674  0.064  1.0
  Ta  Ta2  1  0.195  0.936  0.674  1.0
  Ta  Ta3  1  0.805  0.064  0.326  1.0
  Ta  Ta4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.611  0.476  0.302  1.0
  Ni  Ni6  1  0.389  0.524  0.698  1.0
  Ni  Ni7  1  0.087  0.302  0.524  1.0
  Ni  Ni8  1  0.913  0.698  0.476  1.0
  P  P9  1  0.760  0.685  0.795  1.0
  P  P10  1  0.240  0.315  0.205  1.0
  P  P11  1  0.445  0.795  0.315  1.0
  P  P12  1  0.555  0.205  0.685  1.0
[/CIF]
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The compound described by Ta5(NiP)4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to five equivalent P(1) atoms. In the second Ta site, Ta(2) is bonded in a square co-planar geometry to four equivalent P(1) atoms. Ni(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Ta(2), five equivalent Ta(1), and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ta5(NiP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.504
_cell_length_b   7.213
_cell_length_c   7.213
_cell_angle_alpha   86.618
_cell_angle_beta   75.943
_cell_angle_gamma   75.943
_symmetry_Int_Tables_number   1
_cell_volume   171.527
_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  0.869  0.326  0.936  1.0
  Ta  Ta1  1  0.131  0.674  0.064  1.0
  Ta  Ta2  1  0.195  0.936  0.674  1.0
  Ta  Ta3  1  0.805  0.064  0.326  1.0
  Ta  Ta4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.611  0.476  0.302  1.0
  Ni  Ni6  1  0.389  0.524  0.698  1.0
  Ni  Ni7  1  0.087  0.302  0.524  1.0
  Ni  Ni8  1  0.913  0.698  0.476  1.0
  P  P9  1  0.760  0.685  0.795  1.0
  P  P10  1  0.240  0.315  0.205  1.0
  P  P11  1  0.445  0.795  0.315  1.0
  P  P12  1  0.555  0.205  0.685  1.0
[/CIF]
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