The structure described by Mn3Ni20P6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. In the second Mn site, Mn(2) is bonded to twelve equivalent Ni(2) and six equivalent P(1) atoms to form distorted MnNi12P6 cuboctahedra that share corners with twenty-four equivalent Ni(1)MnP3 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mn(1) and three equivalent P(1) atoms to form NiMnP3 tetrahedra that share corners with three equivalent Mn(2)Ni12P6 cuboctahedra, corners with six equivalent Ni(1)MnP3 tetrahedra, and edges with three equivalent Ni(1)MnP3 tetrahedra. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and two equivalent P(1) atoms. P(1) is bonded in a 8-coordinate geometry to one Mn(2), four equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(Ni10P3)2
_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   330.132
_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  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.250  0.250  0.250  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.380  0.380  0.861  1.0
  Ni  Ni4  1  0.620  0.620  0.620  1.0
  Ni  Ni5  1  0.000  0.348  0.000  1.0
  Ni  Ni6  1  0.348  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.348  0.652  1.0
  Ni  Ni8  1  0.861  0.380  0.380  1.0
  Ni  Ni9  1  0.348  0.000  0.652  1.0
  Ni  Ni10  1  0.000  0.000  0.348  1.0
  Ni  Ni11  1  0.652  0.348  0.000  1.0
  Ni  Ni12  1  0.000  0.652  0.348  1.0
  Ni  Ni13  1  0.000  0.000  0.652  1.0
  Ni  Ni14  1  0.348  0.652  0.000  1.0
  Ni  Ni15  1  0.652  0.000  0.000  1.0
  Ni  Ni16  1  0.000  0.652  0.000  1.0
  Ni  Ni17  1  0.380  0.861  0.380  1.0
  Ni  Ni18  1  0.620  0.620  0.139  1.0
  Ni  Ni19  1  0.620  0.139  0.620  1.0
  Ni  Ni20  1  0.139  0.620  0.620  1.0
  Ni  Ni21  1  0.380  0.380  0.380  1.0
  Ni  Ni22  1  0.652  0.000  0.348  1.0
  P  P23  1  0.736  0.264  0.736  1.0
  P  P24  1  0.264  0.736  0.264  1.0
  P  P25  1  0.264  0.736  0.736  1.0
  P  P26  1  0.264  0.264  0.736  1.0
  P  P27  1  0.736  0.736  0.264  1.0
  P  P28  1  0.736  0.264  0.264  1.0
[/CIF]
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The structure described by Mn3Ni20P6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. In the second Mn site, Mn(2) is bonded to twelve equivalent Ni(2) and six equivalent P(1) atoms to form distorted MnNi12P6 cuboctahedra that share corners with twenty-four equivalent Ni(1)MnP3 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mn(1) and three equivalent P(1) atoms to form NiMnP3 tetrahedra that share corners with three equivalent Mn(2)Ni12P6 cuboctahedra, corners with six equivalent Ni(1)MnP3 tetrahedra, and edges with three equivalent Ni(1)MnP3 tetrahedra. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and two equivalent P(1) atoms. P(1) is bonded in a 8-coordinate geometry to one Mn(2), four equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(Ni10P3)2
_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   330.132
_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  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.250  0.250  0.250  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.380  0.380  0.861  1.0
  Ni  Ni4  1  0.620  0.620  0.620  1.0
  Ni  Ni5  1  0.000  0.348  0.000  1.0
  Ni  Ni6  1  0.348  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.348  0.652  1.0
  Ni  Ni8  1  0.861  0.380  0.380  1.0
  Ni  Ni9  1  0.348  0.000  0.652  1.0
  Ni  Ni10  1  0.000  0.000  0.348  1.0
  Ni  Ni11  1  0.652  0.348  0.000  1.0
  Ni  Ni12  1  0.000  0.652  0.348  1.0
  Ni  Ni13  1  0.000  0.000  0.652  1.0
  Ni  Ni14  1  0.348  0.652  0.000  1.0
  Ni  Ni15  1  0.652  0.000  0.000  1.0
  Ni  Ni16  1  0.000  0.652  0.000  1.0
  Ni  Ni17  1  0.380  0.861  0.380  1.0
  Ni  Ni18  1  0.620  0.620  0.139  1.0
  Ni  Ni19  1  0.620  0.139  0.620  1.0
  Ni  Ni20  1  0.139  0.620  0.620  1.0
  Ni  Ni21  1  0.380  0.380  0.380  1.0
  Ni  Ni22  1  0.652  0.000  0.348  1.0
  P  P23  1  0.736  0.264  0.736  1.0
  P  P24  1  0.264  0.736  0.264  1.0
  P  P25  1  0.264  0.736  0.736  1.0
  P  P26  1  0.264  0.264  0.736  1.0
  P  P27  1  0.736  0.736  0.264  1.0
  P  P28  1  0.736  0.264  0.264  1.0
[/CIF]
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