The material described by MgSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Sn(1)N4 tetrahedra. Sn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SnN4 tetrahedra that share corners with four equivalent Sn(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and two equivalent Sn(1) atoms to form corner-sharing NMg2Sn2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Sn(1) atoms to form corner-sharing NMg2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_MgSnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   6.884
_cell_length_c   5.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.150
_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
  Mg  Mg0  1  0.583  0.875  0.993  1.0
  Mg  Mg1  1  0.417  0.125  0.493  1.0
  Mg  Mg2  1  0.917  0.375  0.493  1.0
  Mg  Mg3  1  0.083  0.625  0.993  1.0
  Sn  Sn4  1  0.584  0.374  0.996  1.0
  Sn  Sn5  1  0.416  0.626  0.496  1.0
  Sn  Sn6  1  0.916  0.874  0.496  1.0
  Sn  Sn7  1  0.084  0.126  0.996  1.0
  N  N8  1  0.579  0.378  0.375  1.0
  N  N9  1  0.421  0.622  0.875  1.0
  N  N10  1  0.921  0.878  0.875  1.0
  N  N11  1  0.079  0.122  0.375  1.0
  N  N12  1  0.585  0.872  0.377  1.0
  N  N13  1  0.415  0.128  0.877  1.0
  N  N14  1  0.915  0.372  0.877  1.0
  N  N15  1  0.085  0.628  0.377  1.0
[/CIF]
.
The material described by MgSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Sn(1)N4 tetrahedra. Sn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SnN4 tetrahedra that share corners with four equivalent Sn(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and two equivalent Sn(1) atoms to form corner-sharing NMg2Sn2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Sn(1) atoms to form corner-sharing NMg2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_MgSnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   6.884
_cell_length_c   5.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.150
_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
  Mg  Mg0  1  0.583  0.875  0.993  1.0
  Mg  Mg1  1  0.417  0.125  0.493  1.0
  Mg  Mg2  1  0.917  0.375  0.493  1.0
  Mg  Mg3  1  0.083  0.625  0.993  1.0
  Sn  Sn4  1  0.584  0.374  0.996  1.0
  Sn  Sn5  1  0.416  0.626  0.496  1.0
  Sn  Sn6  1  0.916  0.874  0.496  1.0
  Sn  Sn7  1  0.084  0.126  0.996  1.0
  N  N8  1  0.579  0.378  0.375  1.0
  N  N9  1  0.421  0.622  0.875  1.0
  N  N10  1  0.921  0.878  0.875  1.0
  N  N11  1  0.079  0.122  0.375  1.0
  N  N12  1  0.585  0.872  0.377  1.0
  N  N13  1  0.415  0.128  0.877  1.0
  N  N14  1  0.915  0.372  0.877  1.0
  N  N15  1  0.085  0.628  0.377  1.0
[/CIF]
.