The compound described by Ni16GeP5 crystallizes in the triclinic P-1 space group. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ge(1), one P(1), and one P(2) atom. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one P(2), one P(3), and two equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded in a 2-coordinate geometry to one Ge(1), one P(1), and two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Ge(1), one P(3), and two equivalent P(2) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one P(2), one P(3), and two equivalent P(1) atoms. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to one Ge(1), one P(1), and one P(2) atom. In the seventh Ni site, Ni(7) is bonded in a 2-coordinate geometry to one Ge(1), one P(3), and two equivalent P(1) atoms. In the eighth Ni site, Ni(8) is bonded in a 2-coordinate geometry to one Ge(1), one P(1), and two equivalent P(2) atoms. Ge(1) is bonded in a cuboctahedral geometry to two equivalent Ni(1), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(6), two equivalent Ni(7), and two equivalent Ni(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(3), one Ni(6), one Ni(8), two equivalent Ni(2), two equivalent Ni(5), and two equivalent Ni(7) atoms. In the second P site, P(2) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(2), one Ni(5), one Ni(6), two equivalent Ni(3), two equivalent Ni(4), and two equivalent Ni(8) atoms. In the third P site, P(3) is bonded in a body-centered cubic geometry to two equivalent Ni(2), two equivalent Ni(4), two equivalent Ni(5), and two equivalent Ni(7) atoms. is represented by the CIF file [CIF]
data_Ni16GeP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.617
_cell_length_c   6.698
_cell_angle_alpha   98.735
_cell_angle_beta   102.535
_cell_angle_gamma   119.201
_symmetry_Int_Tables_number   1
_cell_volume   234.756
_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  0.280  0.643  0.298  1.0
  Ni  Ni1  1  0.720  0.357  0.702  1.0
  Ni  Ni2  1  0.586  0.729  0.106  1.0
  Ni  Ni3  1  0.414  0.271  0.894  1.0
  Ni  Ni4  1  0.556  0.445  0.336  1.0
  Ni  Ni5  1  0.444  0.555  0.664  1.0
  Ni  Ni6  1  0.614  0.083  0.352  1.0
  Ni  Ni7  1  0.386  0.917  0.648  1.0
  Ni  Ni8  1  0.206  0.005  0.102  1.0
  Ni  Ni9  1  0.794  0.995  0.898  1.0
  Ni  Ni10  1  0.047  0.207  0.299  1.0
  Ni  Ni11  1  0.953  0.793  0.701  1.0
  Ni  Ni12  1  0.826  0.375  0.103  1.0
  Ni  Ni13  1  0.174  0.625  0.897  1.0
  Ni  Ni14  1  0.016  0.196  0.663  1.0
  Ni  Ni15  1  0.984  0.804  0.337  1.0
  Ge  Ge16  1  0.000  0.500  0.500  1.0
  P  P17  1  0.173  0.336  0.031  1.0
  P  P18  1  0.827  0.664  0.969  1.0
  P  P19  1  0.330  0.170  0.498  1.0
  P  P20  1  0.670  0.830  0.502  1.0
  P  P21  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by Ni16GeP5 crystallizes in the triclinic P-1 space group. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ge(1), one P(1), and one P(2) atom. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one P(2), one P(3), and two equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded in a 2-coordinate geometry to one Ge(1), one P(1), and two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Ge(1), one P(3), and two equivalent P(2) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one P(2), one P(3), and two equivalent P(1) atoms. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to one Ge(1), one P(1), and one P(2) atom. In the seventh Ni site, Ni(7) is bonded in a 2-coordinate geometry to one Ge(1), one P(3), and two equivalent P(1) atoms. In the eighth Ni site, Ni(8) is bonded in a 2-coordinate geometry to one Ge(1), one P(1), and two equivalent P(2) atoms. Ge(1) is bonded in a cuboctahedral geometry to two equivalent Ni(1), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(6), two equivalent Ni(7), and two equivalent Ni(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(3), one Ni(6), one Ni(8), two equivalent Ni(2), two equivalent Ni(5), and two equivalent Ni(7) atoms. In the second P site, P(2) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(2), one Ni(5), one Ni(6), two equivalent Ni(3), two equivalent Ni(4), and two equivalent Ni(8) atoms. In the third P site, P(3) is bonded in a body-centered cubic geometry to two equivalent Ni(2), two equivalent Ni(4), two equivalent Ni(5), and two equivalent Ni(7) atoms. is represented by the CIF file [CIF]
data_Ni16GeP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.617
_cell_length_c   6.698
_cell_angle_alpha   98.735
_cell_angle_beta   102.535
_cell_angle_gamma   119.201
_symmetry_Int_Tables_number   1
_cell_volume   234.756
_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  0.280  0.643  0.298  1.0
  Ni  Ni1  1  0.720  0.357  0.702  1.0
  Ni  Ni2  1  0.586  0.729  0.106  1.0
  Ni  Ni3  1  0.414  0.271  0.894  1.0
  Ni  Ni4  1  0.556  0.445  0.336  1.0
  Ni  Ni5  1  0.444  0.555  0.664  1.0
  Ni  Ni6  1  0.614  0.083  0.352  1.0
  Ni  Ni7  1  0.386  0.917  0.648  1.0
  Ni  Ni8  1  0.206  0.005  0.102  1.0
  Ni  Ni9  1  0.794  0.995  0.898  1.0
  Ni  Ni10  1  0.047  0.207  0.299  1.0
  Ni  Ni11  1  0.953  0.793  0.701  1.0
  Ni  Ni12  1  0.826  0.375  0.103  1.0
  Ni  Ni13  1  0.174  0.625  0.897  1.0
  Ni  Ni14  1  0.016  0.196  0.663  1.0
  Ni  Ni15  1  0.984  0.804  0.337  1.0
  Ge  Ge16  1  0.000  0.500  0.500  1.0
  P  P17  1  0.173  0.336  0.031  1.0
  P  P18  1  0.827  0.664  0.969  1.0
  P  P19  1  0.330  0.170  0.498  1.0
  P  P20  1  0.670  0.830  0.502  1.0
  P  P21  1  0.500  0.000  0.000  1.0
[/CIF]
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