The crystal structure described by Mg2SnN2 crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing MgN4 trigonal pyramids. Sn(1) is bonded in a 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 to two equivalent Mg(2), three equivalent Mg(1), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(2)Mg4Sn2 octahedra, corners with two equivalent N(1)Mg5Sn octahedra, edges with three equivalent N(1)Mg5Sn octahedra, and edges with five equivalent N(2)Mg4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Sn(1) atoms to form distorted NMg4Sn2 octahedra that share corners with two equivalent N(2)Mg4Sn2 octahedra, corners with two equivalent N(1)Mg5Sn octahedra, edges with two equivalent N(2)Mg4Sn2 octahedra, and edges with five equivalent N(1)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 10-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2SnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   6.721
_cell_angle_alpha   73.713
_cell_angle_beta   73.713
_cell_angle_gamma   44.810
_symmetry_Int_Tables_number   1
_cell_volume   139.347
_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
  Mg  Mg0  1  0.661  0.667  0.959  1.0
  Mg  Mg1  1  0.333  0.339  0.041  1.0
  Mg  Mg2  1  0.996  0.005  0.793  1.0
  Mg  Mg3  1  0.995  0.004  0.207  1.0
  Sn  Sn4  1  0.347  0.303  0.578  1.0
  Sn  Sn5  1  0.697  0.653  0.422  1.0
  N  N6  1  0.163  0.173  0.911  1.0
  N  N7  1  0.827  0.837  0.089  1.0
  N  N8  1  0.506  0.519  0.273  1.0
  N  N9  1  0.481  0.494  0.727  1.0
[/CIF]
.
The crystal structure described by Mg2SnN2 crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing MgN4 trigonal pyramids. Sn(1) is bonded in a 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 to two equivalent Mg(2), three equivalent Mg(1), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(2)Mg4Sn2 octahedra, corners with two equivalent N(1)Mg5Sn octahedra, edges with three equivalent N(1)Mg5Sn octahedra, and edges with five equivalent N(2)Mg4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Sn(1) atoms to form distorted NMg4Sn2 octahedra that share corners with two equivalent N(2)Mg4Sn2 octahedra, corners with two equivalent N(1)Mg5Sn octahedra, edges with two equivalent N(2)Mg4Sn2 octahedra, and edges with five equivalent N(1)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 10-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2SnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   6.721
_cell_angle_alpha   73.713
_cell_angle_beta   73.713
_cell_angle_gamma   44.810
_symmetry_Int_Tables_number   1
_cell_volume   139.347
_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
  Mg  Mg0  1  0.661  0.667  0.959  1.0
  Mg  Mg1  1  0.333  0.339  0.041  1.0
  Mg  Mg2  1  0.996  0.005  0.793  1.0
  Mg  Mg3  1  0.995  0.004  0.207  1.0
  Sn  Sn4  1  0.347  0.303  0.578  1.0
  Sn  Sn5  1  0.697  0.653  0.422  1.0
  N  N6  1  0.163  0.173  0.911  1.0
  N  N7  1  0.827  0.837  0.089  1.0
  N  N8  1  0.506  0.519  0.273  1.0
  N  N9  1  0.481  0.494  0.727  1.0
[/CIF]
.