The material structure described by Ce6Ni6P17 crystallizes in the cubic I-43m space group. Ce(1) is bonded in a 13-coordinate geometry to four equivalent Ni(1), one P(3), two equivalent P(2), and six equivalent P(1) atoms. Ni(1) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) and four equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and three equivalent P(1) atoms. In the second P site, P(3) is bonded in an octahedral geometry to six equivalent Ce(1) atoms. In the third P site, P(1) is bonded in a 2-coordinate geometry to three equivalent Ce(1), two equivalent Ni(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Ce6Ni6P17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.664
_cell_length_b   8.664
_cell_length_c   8.664
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   500.570
_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
  Ce  Ce0  1  0.000  0.710  0.710  1.0
  Ce  Ce1  1  0.290  0.000  0.290  1.0
  Ce  Ce2  1  0.290  0.290  0.000  1.0
  Ce  Ce3  1  0.000  0.290  0.290  1.0
  Ce  Ce4  1  0.710  0.000  0.710  1.0
  Ce  Ce5  1  0.710  0.710  0.000  1.0
  Ni  Ni6  1  0.500  0.750  0.250  1.0
  Ni  Ni7  1  0.750  0.500  0.250  1.0
  Ni  Ni8  1  0.250  0.750  0.500  1.0
  Ni  Ni9  1  0.250  0.500  0.750  1.0
  Ni  Ni10  1  0.500  0.250  0.750  1.0
  Ni  Ni11  1  0.750  0.250  0.500  1.0
  P  P12  1  0.634  0.231  0.000  1.0
  P  P13  1  0.403  0.769  0.769  1.0
  P  P14  1  0.634  0.000  0.231  1.0
  P  P15  1  0.231  0.634  0.000  1.0
  P  P16  1  0.000  0.634  0.231  1.0
  P  P17  1  0.769  0.403  0.769  1.0
  P  P18  1  0.769  0.769  0.403  1.0
  P  P19  1  0.000  0.231  0.634  1.0
  P  P20  1  0.231  0.000  0.634  1.0
  P  P21  1  0.366  0.366  0.597  1.0
  P  P22  1  0.597  0.366  0.366  1.0
  P  P23  1  0.366  0.597  0.366  1.0
  P  P24  1  0.421  0.000  0.000  1.0
  P  P25  1  0.000  0.421  0.000  1.0
  P  P26  1  0.000  0.000  0.421  1.0
  P  P27  1  0.579  0.579  0.579  1.0
  P  P28  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Ce6Ni6P17 crystallizes in the cubic I-43m space group. Ce(1) is bonded in a 13-coordinate geometry to four equivalent Ni(1), one P(3), two equivalent P(2), and six equivalent P(1) atoms. Ni(1) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) and four equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and three equivalent P(1) atoms. In the second P site, P(3) is bonded in an octahedral geometry to six equivalent Ce(1) atoms. In the third P site, P(1) is bonded in a 2-coordinate geometry to three equivalent Ce(1), two equivalent Ni(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Ce6Ni6P17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.664
_cell_length_b   8.664
_cell_length_c   8.664
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   500.570
_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
  Ce  Ce0  1  0.000  0.710  0.710  1.0
  Ce  Ce1  1  0.290  0.000  0.290  1.0
  Ce  Ce2  1  0.290  0.290  0.000  1.0
  Ce  Ce3  1  0.000  0.290  0.290  1.0
  Ce  Ce4  1  0.710  0.000  0.710  1.0
  Ce  Ce5  1  0.710  0.710  0.000  1.0
  Ni  Ni6  1  0.500  0.750  0.250  1.0
  Ni  Ni7  1  0.750  0.500  0.250  1.0
  Ni  Ni8  1  0.250  0.750  0.500  1.0
  Ni  Ni9  1  0.250  0.500  0.750  1.0
  Ni  Ni10  1  0.500  0.250  0.750  1.0
  Ni  Ni11  1  0.750  0.250  0.500  1.0
  P  P12  1  0.634  0.231  0.000  1.0
  P  P13  1  0.403  0.769  0.769  1.0
  P  P14  1  0.634  0.000  0.231  1.0
  P  P15  1  0.231  0.634  0.000  1.0
  P  P16  1  0.000  0.634  0.231  1.0
  P  P17  1  0.769  0.403  0.769  1.0
  P  P18  1  0.769  0.769  0.403  1.0
  P  P19  1  0.000  0.231  0.634  1.0
  P  P20  1  0.231  0.000  0.634  1.0
  P  P21  1  0.366  0.366  0.597  1.0
  P  P22  1  0.597  0.366  0.366  1.0
  P  P23  1  0.366  0.597  0.366  1.0
  P  P24  1  0.421  0.000  0.000  1.0
  P  P25  1  0.000  0.421  0.000  1.0
  P  P26  1  0.000  0.000  0.421  1.0
  P  P27  1  0.579  0.579  0.579  1.0
  P  P28  1  0.000  0.000  0.000  1.0
[/CIF]
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