The structure described by MnSnN2 crystallizes in the orthorhombic Pna2_1 space group. Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing MnN4 tetrahedra. Sn(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Sn(1) atom. In the second N site, N(2) is bonded to two equivalent Mn(1) and two equivalent Sn(1) atoms to form distorted corner-sharing NMn2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_MnSnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   7.544
_cell_length_c   5.100
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.952
_cell_formula_units_Z   4
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  0.512  0.875  0.991  1.0
  Mn  Mn1  1  0.488  0.125  0.491  1.0
  Mn  Mn2  1  0.988  0.375  0.491  1.0
  Mn  Mn3  1  0.012  0.625  0.991  1.0
  Sn  Sn4  1  0.587  0.372  0.012  1.0
  Sn  Sn5  1  0.413  0.628  0.512  1.0
  Sn  Sn6  1  0.913  0.872  0.512  1.0
  Sn  Sn7  1  0.087  0.128  0.012  1.0
  N  N8  1  0.734  0.254  0.392  1.0
  N  N9  1  0.266  0.746  0.892  1.0
  N  N10  1  0.766  0.754  0.892  1.0
  N  N11  1  0.234  0.246  0.392  1.0
  N  N12  1  0.523  0.900  0.347  1.0
  N  N13  1  0.477  0.100  0.847  1.0
  N  N14  1  0.977  0.400  0.847  1.0
  N  N15  1  0.023  0.600  0.347  1.0
[/CIF]
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The structure described by MnSnN2 crystallizes in the orthorhombic Pna2_1 space group. Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing MnN4 tetrahedra. Sn(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Sn(1) atom. In the second N site, N(2) is bonded to two equivalent Mn(1) and two equivalent Sn(1) atoms to form distorted corner-sharing NMn2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_MnSnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   7.544
_cell_length_c   5.100
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.952
_cell_formula_units_Z   4
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  0.512  0.875  0.991  1.0
  Mn  Mn1  1  0.488  0.125  0.491  1.0
  Mn  Mn2  1  0.988  0.375  0.491  1.0
  Mn  Mn3  1  0.012  0.625  0.991  1.0
  Sn  Sn4  1  0.587  0.372  0.012  1.0
  Sn  Sn5  1  0.413  0.628  0.512  1.0
  Sn  Sn6  1  0.913  0.872  0.512  1.0
  Sn  Sn7  1  0.087  0.128  0.012  1.0
  N  N8  1  0.734  0.254  0.392  1.0
  N  N9  1  0.266  0.746  0.892  1.0
  N  N10  1  0.766  0.754  0.892  1.0
  N  N11  1  0.234  0.246  0.392  1.0
  N  N12  1  0.523  0.900  0.347  1.0
  N  N13  1  0.477  0.100  0.847  1.0
  N  N14  1  0.977  0.400  0.847  1.0
  N  N15  1  0.023  0.600  0.347  1.0
[/CIF]
.