The material described by Mn2N2Se crystallizes in the monoclinic C2/m space group. Mn(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and three equivalent Se(1) atoms. N(1) is bonded to four equivalent Mn(1) atoms to form a mixture of edge and corner-sharing NMn4 trigonal pyramids. Se(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.186
_cell_length_b   3.170
_cell_length_c   6.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.324
_cell_angle_gamma   119.839
_symmetry_Int_Tables_number   1
_cell_volume   56.094
_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  0.663  0.332  0.681  1.0
  Mn  Mn1  1  0.337  0.668  0.319  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.672  0.336  0.368  1.0
  N  N4  1  0.328  0.664  0.632  1.0
[/CIF]
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The material described by Mn2N2Se crystallizes in the monoclinic C2/m space group. Mn(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and three equivalent Se(1) atoms. N(1) is bonded to four equivalent Mn(1) atoms to form a mixture of edge and corner-sharing NMn4 trigonal pyramids. Se(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.186
_cell_length_b   3.170
_cell_length_c   6.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.324
_cell_angle_gamma   119.839
_symmetry_Int_Tables_number   1
_cell_volume   56.094
_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  0.663  0.332  0.681  1.0
  Mn  Mn1  1  0.337  0.668  0.319  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.672  0.336  0.368  1.0
  N  N4  1  0.328  0.664  0.632  1.0
[/CIF]
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