The structure described by Mn4N crystallizes in the cubic Pm-3m space group. The structure consists of one ammonia atom inside a Mn framework. In the Mn framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(2) atoms to form corner-sharing MnMn6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.329
_cell_length_b   4.329
_cell_length_c   4.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.129
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Mn4N crystallizes in the cubic Pm-3m space group. The structure consists of one ammonia atom inside a Mn framework. In the Mn framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(2) atoms to form corner-sharing MnMn6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.329
_cell_length_b   4.329
_cell_length_c   4.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.129
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
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