The crystal structure described by Mn12Pt4N crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to two equivalent Mn(3), two equivalent Pt(1), two equivalent Pt(2), and one N(1) atom. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to two equivalent Mn(4), six equivalent Mn(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), four equivalent Mn(3), one Pt(1), and three equivalent Pt(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted single-bond geometry to one Mn(2), one Pt(2), three equivalent Pt(1), and one N(1) atom. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and six equivalent Mn(4) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(1)Mn12 cuboctahedra, corners with four equivalent Pt(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and faces with two equivalent N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Pt site, Pt(2) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(4), and six equivalent Mn(3) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra,  a cornercorner with one N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and  a faceface with one N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 17°. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(4) atoms to form NMn6 octahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra, faces with two equivalent Pt(2)Mn12 cuboctahedra, and faces with four equivalent Pt(1)Mn12 cuboctahedra. is represented by the CIF card [CIF]
data_Mn12Pt4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   5.264
_cell_length_c   9.307
_cell_angle_alpha   90.012
_cell_angle_beta   89.840
_cell_angle_gamma   89.984
_symmetry_Int_Tables_number   1
_cell_volume   205.644
_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  0.765  0.000  0.171  1.0
  Mn  Mn1  1  0.752  0.501  0.645  1.0
  Mn  Mn2  1  0.752  0.727  0.428  1.0
  Mn  Mn3  1  0.760  0.258  0.914  1.0
  Mn  Mn4  1  0.752  0.272  0.427  1.0
  Mn  Mn5  1  0.760  0.742  0.914  1.0
  Mn  Mn6  1  0.248  0.499  0.355  1.0
  Mn  Mn7  1  0.235  1.000  0.829  1.0
  Mn  Mn8  1  0.240  0.742  0.086  1.0
  Mn  Mn9  1  0.248  0.273  0.572  1.0
  Mn  Mn10  1  0.240  0.258  0.086  1.0
  Mn  Mn11  1  0.248  0.728  0.573  1.0
  Pt  Pt12  1  0.746  0.500  0.177  1.0
  Pt  Pt13  1  0.748  0.000  0.658  1.0
  Pt  Pt14  1  0.252  1.000  0.342  1.0
  Pt  Pt15  1  0.254  0.500  0.823  1.0
  N  N16  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Mn12Pt4N crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to two equivalent Mn(3), two equivalent Pt(1), two equivalent Pt(2), and one N(1) atom. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to two equivalent Mn(4), six equivalent Mn(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), four equivalent Mn(3), one Pt(1), and three equivalent Pt(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted single-bond geometry to one Mn(2), one Pt(2), three equivalent Pt(1), and one N(1) atom. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and six equivalent Mn(4) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(1)Mn12 cuboctahedra, corners with four equivalent Pt(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and faces with two equivalent N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Pt site, Pt(2) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(4), and six equivalent Mn(3) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra,  a cornercorner with one N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and  a faceface with one N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 17°. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(4) atoms to form NMn6 octahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra, faces with two equivalent Pt(2)Mn12 cuboctahedra, and faces with four equivalent Pt(1)Mn12 cuboctahedra. is represented by the CIF card [CIF]
data_Mn12Pt4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   5.264
_cell_length_c   9.307
_cell_angle_alpha   90.012
_cell_angle_beta   89.840
_cell_angle_gamma   89.984
_symmetry_Int_Tables_number   1
_cell_volume   205.644
_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  0.765  0.000  0.171  1.0
  Mn  Mn1  1  0.752  0.501  0.645  1.0
  Mn  Mn2  1  0.752  0.727  0.428  1.0
  Mn  Mn3  1  0.760  0.258  0.914  1.0
  Mn  Mn4  1  0.752  0.272  0.427  1.0
  Mn  Mn5  1  0.760  0.742  0.914  1.0
  Mn  Mn6  1  0.248  0.499  0.355  1.0
  Mn  Mn7  1  0.235  1.000  0.829  1.0
  Mn  Mn8  1  0.240  0.742  0.086  1.0
  Mn  Mn9  1  0.248  0.273  0.572  1.0
  Mn  Mn10  1  0.240  0.258  0.086  1.0
  Mn  Mn11  1  0.248  0.728  0.573  1.0
  Pt  Pt12  1  0.746  0.500  0.177  1.0
  Pt  Pt13  1  0.748  0.000  0.658  1.0
  Pt  Pt14  1  0.252  1.000  0.342  1.0
  Pt  Pt15  1  0.254  0.500  0.823  1.0
  N  N16  1  0.500  0.000  0.000  1.0
[/CIF]
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