The structure described by MnNi5N4 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Ni(2), and two equivalent Ni(1) atoms. In the second N site, N(2) is bonded in a distorted pentagonal planar geometry to one Mn(1) and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_MnNi5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.512
_cell_length_b   5.814
_cell_length_c   4.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.253
_cell_formula_units_Z   2
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  0.250  0.738  1.0
  Mn  Mn1  1  0.250  0.750  0.262  1.0
  Ni  Ni2  1  0.592  0.537  0.297  1.0
  Ni  Ni3  1  0.908  0.537  0.297  1.0
  Ni  Ni4  1  0.592  0.963  0.297  1.0
  Ni  Ni5  1  0.908  0.963  0.297  1.0
  Ni  Ni6  1  0.408  0.463  0.703  1.0
  Ni  Ni7  1  0.092  0.463  0.703  1.0
  Ni  Ni8  1  0.408  0.037  0.703  1.0
  Ni  Ni9  1  0.092  0.037  0.703  1.0
  Ni  Ni10  1  0.750  0.750  0.819  1.0
  Ni  Ni11  1  0.250  0.250  0.181  1.0
  N  N12  1  0.750  0.026  0.017  1.0
  N  N13  1  0.750  0.474  0.017  1.0
  N  N14  1  0.250  0.974  0.983  1.0
  N  N15  1  0.250  0.526  0.983  1.0
  N  N16  1  0.440  0.750  0.475  1.0
  N  N17  1  0.060  0.750  0.475  1.0
  N  N18  1  0.560  0.250  0.525  1.0
  N  N19  1  0.940  0.250  0.525  1.0
[/CIF]
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The structure described by MnNi5N4 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Ni(2), and two equivalent Ni(1) atoms. In the second N site, N(2) is bonded in a distorted pentagonal planar geometry to one Mn(1) and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_MnNi5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.512
_cell_length_b   5.814
_cell_length_c   4.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.253
_cell_formula_units_Z   2
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  0.250  0.738  1.0
  Mn  Mn1  1  0.250  0.750  0.262  1.0
  Ni  Ni2  1  0.592  0.537  0.297  1.0
  Ni  Ni3  1  0.908  0.537  0.297  1.0
  Ni  Ni4  1  0.592  0.963  0.297  1.0
  Ni  Ni5  1  0.908  0.963  0.297  1.0
  Ni  Ni6  1  0.408  0.463  0.703  1.0
  Ni  Ni7  1  0.092  0.463  0.703  1.0
  Ni  Ni8  1  0.408  0.037  0.703  1.0
  Ni  Ni9  1  0.092  0.037  0.703  1.0
  Ni  Ni10  1  0.750  0.750  0.819  1.0
  Ni  Ni11  1  0.250  0.250  0.181  1.0
  N  N12  1  0.750  0.026  0.017  1.0
  N  N13  1  0.750  0.474  0.017  1.0
  N  N14  1  0.250  0.974  0.983  1.0
  N  N15  1  0.250  0.526  0.983  1.0
  N  N16  1  0.440  0.750  0.475  1.0
  N  N17  1  0.060  0.750  0.475  1.0
  N  N18  1  0.560  0.250  0.525  1.0
  N  N19  1  0.940  0.250  0.525  1.0
[/CIF]
.