The compound described by Nb5(NiP)4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to five equivalent P(1) atoms. In the second Nb site, Nb(2) is bonded in a square co-planar geometry to four equivalent P(1) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Nb(2), five equivalent Nb(1), and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Nb5(NiP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.519
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   86.631
_cell_angle_beta   75.970
_cell_angle_gamma   75.970
_symmetry_Int_Tables_number   1
_cell_volume   174.513
_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
  Nb  Nb0  1  0.805  0.063  0.326  1.0
  Nb  Nb1  1  0.131  0.674  0.063  1.0
  Nb  Nb2  1  0.869  0.326  0.937  1.0
  Nb  Nb3  1  0.195  0.937  0.674  1.0
  Nb  Nb4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.916  0.693  0.474  1.0
  Ni  Ni6  1  0.084  0.307  0.526  1.0
  Ni  Ni7  1  0.610  0.474  0.307  1.0
  Ni  Ni8  1  0.390  0.526  0.693  1.0
  P  P9  1  0.555  0.207  0.684  1.0
  P  P10  1  0.238  0.316  0.207  1.0
  P  P11  1  0.762  0.684  0.793  1.0
  P  P12  1  0.445  0.793  0.316  1.0
[/CIF]
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The compound described by Nb5(NiP)4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to five equivalent P(1) atoms. In the second Nb site, Nb(2) is bonded in a square co-planar geometry to four equivalent P(1) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Nb(2), five equivalent Nb(1), and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Nb5(NiP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.519
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   86.631
_cell_angle_beta   75.970
_cell_angle_gamma   75.970
_symmetry_Int_Tables_number   1
_cell_volume   174.513
_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
  Nb  Nb0  1  0.805  0.063  0.326  1.0
  Nb  Nb1  1  0.131  0.674  0.063  1.0
  Nb  Nb2  1  0.869  0.326  0.937  1.0
  Nb  Nb3  1  0.195  0.937  0.674  1.0
  Nb  Nb4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.916  0.693  0.474  1.0
  Ni  Ni6  1  0.084  0.307  0.526  1.0
  Ni  Ni7  1  0.610  0.474  0.307  1.0
  Ni  Ni8  1  0.390  0.526  0.693  1.0
  P  P9  1  0.555  0.207  0.684  1.0
  P  P10  1  0.238  0.316  0.207  1.0
  P  P11  1  0.762  0.684  0.793  1.0
  P  P12  1  0.445  0.793  0.316  1.0
[/CIF]
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