The compound described by Mn is alpha structured and crystallizes in the cubic I-43m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to four equivalent Mn(2) and twelve equivalent Mn(4) atoms. In the second Mn site, Mn(2) is bonded in a 16-coordinate geometry to one Mn(1), six equivalent Mn(3), and nine equivalent Mn(4) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to two equivalent Mn(2), five equivalent Mn(4), and six equivalent Mn(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Mn(4), and five equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.887
_cell_length_b   7.887
_cell_length_c   7.887
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   377.658
_cell_formula_units_Z   29
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.645  0.645  0.645  1.0
  Mn  Mn2  1  0.000  0.000  0.355  1.0
  Mn  Mn3  1  0.355  0.000  0.000  1.0
  Mn  Mn4  1  0.000  0.355  0.000  1.0
  Mn  Mn5  1  0.403  0.719  0.403  1.0
  Mn  Mn6  1  0.317  0.000  0.597  1.0
  Mn  Mn7  1  0.597  0.000  0.317  1.0
  Mn  Mn8  1  0.317  0.597  0.000  1.0
  Mn  Mn9  1  0.683  0.683  0.281  1.0
  Mn  Mn10  1  0.281  0.683  0.683  1.0
  Mn  Mn11  1  0.000  0.597  0.317  1.0
  Mn  Mn12  1  0.000  0.317  0.597  1.0
  Mn  Mn13  1  0.597  0.317  0.000  1.0
  Mn  Mn14  1  0.403  0.403  0.719  1.0
  Mn  Mn15  1  0.719  0.403  0.403  1.0
  Mn  Mn16  1  0.683  0.281  0.683  1.0
  Mn  Mn17  1  0.378  0.186  0.378  1.0
  Mn  Mn18  1  0.809  0.000  0.622  1.0
  Mn  Mn19  1  0.622  0.000  0.809  1.0
  Mn  Mn20  1  0.809  0.622  0.000  1.0
  Mn  Mn21  1  0.191  0.191  0.814  1.0
  Mn  Mn22  1  0.814  0.191  0.191  1.0
  Mn  Mn23  1  0.000  0.622  0.809  1.0
  Mn  Mn24  1  0.000  0.809  0.622  1.0
  Mn  Mn25  1  0.622  0.809  0.000  1.0
  Mn  Mn26  1  0.378  0.378  0.186  1.0
  Mn  Mn27  1  0.186  0.378  0.378  1.0
  Mn  Mn28  1  0.191  0.814  0.191  1.0
[/CIF]
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The compound described by Mn is alpha structured and crystallizes in the cubic I-43m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to four equivalent Mn(2) and twelve equivalent Mn(4) atoms. In the second Mn site, Mn(2) is bonded in a 16-coordinate geometry to one Mn(1), six equivalent Mn(3), and nine equivalent Mn(4) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to two equivalent Mn(2), five equivalent Mn(4), and six equivalent Mn(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Mn(4), and five equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.887
_cell_length_b   7.887
_cell_length_c   7.887
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   377.658
_cell_formula_units_Z   29
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.645  0.645  0.645  1.0
  Mn  Mn2  1  0.000  0.000  0.355  1.0
  Mn  Mn3  1  0.355  0.000  0.000  1.0
  Mn  Mn4  1  0.000  0.355  0.000  1.0
  Mn  Mn5  1  0.403  0.719  0.403  1.0
  Mn  Mn6  1  0.317  0.000  0.597  1.0
  Mn  Mn7  1  0.597  0.000  0.317  1.0
  Mn  Mn8  1  0.317  0.597  0.000  1.0
  Mn  Mn9  1  0.683  0.683  0.281  1.0
  Mn  Mn10  1  0.281  0.683  0.683  1.0
  Mn  Mn11  1  0.000  0.597  0.317  1.0
  Mn  Mn12  1  0.000  0.317  0.597  1.0
  Mn  Mn13  1  0.597  0.317  0.000  1.0
  Mn  Mn14  1  0.403  0.403  0.719  1.0
  Mn  Mn15  1  0.719  0.403  0.403  1.0
  Mn  Mn16  1  0.683  0.281  0.683  1.0
  Mn  Mn17  1  0.378  0.186  0.378  1.0
  Mn  Mn18  1  0.809  0.000  0.622  1.0
  Mn  Mn19  1  0.622  0.000  0.809  1.0
  Mn  Mn20  1  0.809  0.622  0.000  1.0
  Mn  Mn21  1  0.191  0.191  0.814  1.0
  Mn  Mn22  1  0.814  0.191  0.191  1.0
  Mn  Mn23  1  0.000  0.622  0.809  1.0
  Mn  Mn24  1  0.000  0.809  0.622  1.0
  Mn  Mn25  1  0.622  0.809  0.000  1.0
  Mn  Mn26  1  0.378  0.378  0.186  1.0
  Mn  Mn27  1  0.186  0.378  0.378  1.0
  Mn  Mn28  1  0.191  0.814  0.191  1.0
[/CIF]
.