The material described by Mn6Ni16P7 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent P(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Ni(2), and three equivalent P(2) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), three equivalent Ni(2), one P(1), and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of distorted face and corner-sharing PMn4Ni8 cuboctahedra. In the second P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Mn6Ni16P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.758
_cell_length_b   7.758
_cell_length_c   7.758
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   330.150
_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
  Mn  Mn0  1  0.809  0.191  0.809  1.0
  Mn  Mn1  1  0.191  0.191  0.809  1.0
  Mn  Mn2  1  0.809  0.809  0.191  1.0
  Mn  Mn3  1  0.809  0.191  0.191  1.0
  Mn  Mn4  1  0.191  0.809  0.809  1.0
  Mn  Mn5  1  0.191  0.809  0.191  1.0
  Ni  Ni6  1  0.507  0.164  0.164  1.0
  Ni  Ni7  1  0.836  0.836  0.836  1.0
  Ni  Ni8  1  0.150  0.617  0.617  1.0
  Ni  Ni9  1  0.617  0.150  0.617  1.0
  Ni  Ni10  1  0.617  0.617  0.150  1.0
  Ni  Ni11  1  0.383  0.850  0.383  1.0
  Ni  Ni12  1  0.383  0.383  0.850  1.0
  Ni  Ni13  1  0.850  0.383  0.383  1.0
  Ni  Ni14  1  0.617  0.617  0.617  1.0
  Ni  Ni15  1  0.164  0.164  0.507  1.0
  Ni  Ni16  1  0.164  0.507  0.164  1.0
  Ni  Ni17  1  0.836  0.836  0.493  1.0
  Ni  Ni18  1  0.836  0.493  0.836  1.0
  Ni  Ni19  1  0.493  0.836  0.836  1.0
  Ni  Ni20  1  0.164  0.164  0.164  1.0
  Ni  Ni21  1  0.383  0.383  0.383  1.0
  P  P22  1  0.500  0.500  0.500  1.0
  P  P23  1  0.000  0.500  0.000  1.0
  P  P24  1  0.500  0.000  0.000  1.0
  P  P25  1  0.000  0.500  0.500  1.0
  P  P26  1  0.500  0.000  0.500  1.0
  P  P27  1  0.000  0.000  0.500  1.0
  P  P28  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Mn6Ni16P7 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent P(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Ni(2), and three equivalent P(2) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), three equivalent Ni(2), one P(1), and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of distorted face and corner-sharing PMn4Ni8 cuboctahedra. In the second P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Mn6Ni16P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.758
_cell_length_b   7.758
_cell_length_c   7.758
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   330.150
_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
  Mn  Mn0  1  0.809  0.191  0.809  1.0
  Mn  Mn1  1  0.191  0.191  0.809  1.0
  Mn  Mn2  1  0.809  0.809  0.191  1.0
  Mn  Mn3  1  0.809  0.191  0.191  1.0
  Mn  Mn4  1  0.191  0.809  0.809  1.0
  Mn  Mn5  1  0.191  0.809  0.191  1.0
  Ni  Ni6  1  0.507  0.164  0.164  1.0
  Ni  Ni7  1  0.836  0.836  0.836  1.0
  Ni  Ni8  1  0.150  0.617  0.617  1.0
  Ni  Ni9  1  0.617  0.150  0.617  1.0
  Ni  Ni10  1  0.617  0.617  0.150  1.0
  Ni  Ni11  1  0.383  0.850  0.383  1.0
  Ni  Ni12  1  0.383  0.383  0.850  1.0
  Ni  Ni13  1  0.850  0.383  0.383  1.0
  Ni  Ni14  1  0.617  0.617  0.617  1.0
  Ni  Ni15  1  0.164  0.164  0.507  1.0
  Ni  Ni16  1  0.164  0.507  0.164  1.0
  Ni  Ni17  1  0.836  0.836  0.493  1.0
  Ni  Ni18  1  0.836  0.493  0.836  1.0
  Ni  Ni19  1  0.493  0.836  0.836  1.0
  Ni  Ni20  1  0.164  0.164  0.164  1.0
  Ni  Ni21  1  0.383  0.383  0.383  1.0
  P  P22  1  0.500  0.500  0.500  1.0
  P  P23  1  0.000  0.500  0.000  1.0
  P  P24  1  0.500  0.000  0.000  1.0
  P  P25  1  0.000  0.500  0.500  1.0
  P  P26  1  0.500  0.000  0.500  1.0
  P  P27  1  0.000  0.000  0.500  1.0
  P  P28  1  0.500  0.500  0.000  1.0
[/CIF]
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