The material described by Mn2NiN2 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Mn(1) and one Ni(1) atom to form a mixture of corner and edge-sharing NMn5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Mn2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.855
_cell_length_b   2.851
_cell_length_c   11.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.794
_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  0.258  0.250  0.910  1.0
  Mn  Mn1  1  0.258  0.250  0.590  1.0
  Mn  Mn2  1  0.742  0.750  0.090  1.0
  Mn  Mn3  1  0.742  0.750  0.410  1.0
  Ni  Ni4  1  0.227  0.250  0.250  1.0
  Ni  Ni5  1  0.773  0.750  0.750  1.0
  N  N6  1  0.242  0.250  0.410  1.0
  N  N7  1  0.242  0.250  0.090  1.0
  N  N8  1  0.758  0.750  0.590  1.0
  N  N9  1  0.758  0.750  0.910  1.0
[/CIF]
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The material described by Mn2NiN2 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Mn(1) and one Ni(1) atom to form a mixture of corner and edge-sharing NMn5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Mn2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.855
_cell_length_b   2.851
_cell_length_c   11.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.794
_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  0.258  0.250  0.910  1.0
  Mn  Mn1  1  0.258  0.250  0.590  1.0
  Mn  Mn2  1  0.742  0.750  0.090  1.0
  Mn  Mn3  1  0.742  0.750  0.410  1.0
  Ni  Ni4  1  0.227  0.250  0.250  1.0
  Ni  Ni5  1  0.773  0.750  0.750  1.0
  N  N6  1  0.242  0.250  0.410  1.0
  N  N7  1  0.242  0.250  0.090  1.0
  N  N8  1  0.758  0.750  0.590  1.0
  N  N9  1  0.758  0.750  0.910  1.0
[/CIF]
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