The compound described by Ni12P5 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one P(1) and three equivalent P(2) atoms. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to four equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. In the second P site, P(2) is bonded in a 10-coordinate geometry to four equivalent Ni(2) and six equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ni12P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.032
_cell_length_b   6.535
_cell_length_c   6.534
_cell_angle_alpha   81.490
_cell_angle_beta   67.354
_cell_angle_gamma   67.358
_symmetry_Int_Tables_number   1
_cell_volume   183.019
_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
  Ni  Ni0  1  0.933  0.702  0.936  1.0
  Ni  Ni1  1  0.570  0.298  0.064  1.0
  Ni  Ni2  1  0.868  0.064  0.702  1.0
  Ni  Ni3  1  0.365  0.696  0.574  1.0
  Ni  Ni4  1  0.939  0.426  0.696  1.0
  Ni  Ni5  1  0.061  0.574  0.304  1.0
  Ni  Ni6  1  0.635  0.304  0.426  1.0
  Ni  Ni7  1  0.635  0.936  0.298  1.0
  Ni  Ni8  1  0.132  0.936  0.298  1.0
  Ni  Ni9  1  0.430  0.702  0.936  1.0
  Ni  Ni10  1  0.067  0.298  0.064  1.0
  Ni  Ni11  1  0.365  0.064  0.702  1.0
  P  P12  1  0.000  0.000  0.000  1.0
  P  P13  1  0.805  0.781  0.608  1.0
  P  P14  1  0.413  0.392  0.781  1.0
  P  P15  1  0.587  0.608  0.219  1.0
  P  P16  1  0.195  0.219  0.392  1.0
[/CIF]
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The compound described by Ni12P5 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one P(1) and three equivalent P(2) atoms. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to four equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. In the second P site, P(2) is bonded in a 10-coordinate geometry to four equivalent Ni(2) and six equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ni12P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.032
_cell_length_b   6.535
_cell_length_c   6.534
_cell_angle_alpha   81.490
_cell_angle_beta   67.354
_cell_angle_gamma   67.358
_symmetry_Int_Tables_number   1
_cell_volume   183.019
_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
  Ni  Ni0  1  0.933  0.702  0.936  1.0
  Ni  Ni1  1  0.570  0.298  0.064  1.0
  Ni  Ni2  1  0.868  0.064  0.702  1.0
  Ni  Ni3  1  0.365  0.696  0.574  1.0
  Ni  Ni4  1  0.939  0.426  0.696  1.0
  Ni  Ni5  1  0.061  0.574  0.304  1.0
  Ni  Ni6  1  0.635  0.304  0.426  1.0
  Ni  Ni7  1  0.635  0.936  0.298  1.0
  Ni  Ni8  1  0.132  0.936  0.298  1.0
  Ni  Ni9  1  0.430  0.702  0.936  1.0
  Ni  Ni10  1  0.067  0.298  0.064  1.0
  Ni  Ni11  1  0.365  0.064  0.702  1.0
  P  P12  1  0.000  0.000  0.000  1.0
  P  P13  1  0.805  0.781  0.608  1.0
  P  P14  1  0.413  0.392  0.781  1.0
  P  P15  1  0.587  0.608  0.219  1.0
  P  P16  1  0.195  0.219  0.392  1.0
[/CIF]
.