The structure described by Mg4SnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted MgN4 tetrahedra that share  a cornercorner with one Mg(3)N5 square pyramid, corners with three equivalent Mg(4)N5 square pyramids, corners with four equivalent Sn(1)N4 tetrahedra,  an edgeedge with one Mg(4)N5 square pyramid, and edges with two equivalent Mg(3)N5 square pyramids. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Mg site, Mg(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form MgN5 square pyramids that share corners with three equivalent Mg(4)N5 square pyramids,  a cornercorner with one Mg(1)N4 tetrahedra, corners with three equivalent Sn(1)N4 tetrahedra, edges with two equivalent Mg(3)N5 square pyramids, edges with three equivalent Mg(4)N5 square pyramids,  an edgeedge with one Sn(1)N4 tetrahedra, and edges with two equivalent Mg(1)N4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form distorted MgN5 square pyramids that share corners with three equivalent Mg(3)N5 square pyramids,  a cornercorner with one Sn(1)N4 tetrahedra, corners with three equivalent Mg(1)N4 tetrahedra, edges with two equivalent Mg(4)N5 square pyramids, edges with three equivalent Mg(3)N5 square pyramids,  an edgeedge with one Mg(1)N4 tetrahedra, and edges with two equivalent Sn(1)N4 tetrahedra. Sn(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted SnN4 tetrahedra that share  a cornercorner with one Mg(4)N5 square pyramid, corners with three equivalent Mg(3)N5 square pyramids, corners with four equivalent Mg(1)N4 tetrahedra,  an edgeedge with one Mg(3)N5 square pyramid, and edges with two equivalent Mg(4)N5 square pyramids. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(3)Mg5Sn octahedra, corners with two equivalent N(4)Mg5Sn octahedra, corners with two equivalent N(2)Mg3Sn tetrahedra, edges with two equivalent N(1)Mg5Sn octahedra, edges with two equivalent N(3)Mg5Sn octahedra, and edges with four equivalent N(4)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second N site, N(2) is bonded to one Mg(1), two equivalent Mg(2), and one Sn(1) atom to form NMg3Sn tetrahedra that share corners with two equivalent N(1)Mg5Sn octahedra, corners with two equivalent N(4)Mg5Sn octahedra, corners with six equivalent N(3)Mg5Sn octahedra, and  an edgeedge with one N(2)Mg3Sn tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the third N site, N(3) is bonded to one Mg(1), one Mg(3), one Mg(4), two equivalent Mg(2), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(1)Mg5Sn octahedra, corners with six equivalent N(2)Mg3Sn tetrahedra,  an edgeedge with one N(3)Mg5Sn octahedra, edges with two equivalent N(1)Mg5Sn octahedra, and edges with three equivalent N(4)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the fourth N site, N(4) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(1)Mg5Sn octahedra, corners with two equivalent N(2)Mg3Sn tetrahedra, edges with two equivalent N(4)Mg5Sn octahedra, edges with three equivalent N(3)Mg5Sn octahedra, and edges with four equivalent N(1)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 12-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   5.633
_cell_length_c   8.474
_cell_angle_alpha   70.139
_cell_angle_beta   82.909
_cell_angle_gamma   68.417
_symmetry_Int_Tables_number   1
_cell_volume   233.322
_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  0.724  0.615  0.218  1.0
  Mg  Mg1  1  0.276  0.385  0.782  1.0
  Mg  Mg2  1  0.752  0.245  0.999  1.0
  Mg  Mg3  1  0.248  0.755  0.001  1.0
  Mg  Mg4  1  0.736  0.487  0.573  1.0
  Mg  Mg5  1  0.264  0.513  0.427  1.0
  Mg  Mg6  1  0.260  0.929  0.580  1.0
  Mg  Mg7  1  0.740  0.071  0.420  1.0
  Sn  Sn8  1  0.729  0.834  0.784  1.0
  Sn  Sn9  1  0.271  0.166  0.216  1.0
  N  N10  1  0.996  0.697  0.602  1.0
  N  N11  1  0.004  0.303  0.398  1.0
  N  N12  1  0.846  0.841  1.000  1.0
  N  N13  1  0.154  0.159  0.000  1.0
  N  N14  1  0.496  0.606  0.804  1.0
  N  N15  1  0.504  0.394  0.196  1.0
  N  N16  1  0.490  0.802  0.385  1.0
  N  N17  1  0.510  0.198  0.615  1.0
[/CIF]
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The structure described by Mg4SnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted MgN4 tetrahedra that share  a cornercorner with one Mg(3)N5 square pyramid, corners with three equivalent Mg(4)N5 square pyramids, corners with four equivalent Sn(1)N4 tetrahedra,  an edgeedge with one Mg(4)N5 square pyramid, and edges with two equivalent Mg(3)N5 square pyramids. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Mg site, Mg(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form MgN5 square pyramids that share corners with three equivalent Mg(4)N5 square pyramids,  a cornercorner with one Mg(1)N4 tetrahedra, corners with three equivalent Sn(1)N4 tetrahedra, edges with two equivalent Mg(3)N5 square pyramids, edges with three equivalent Mg(4)N5 square pyramids,  an edgeedge with one Sn(1)N4 tetrahedra, and edges with two equivalent Mg(1)N4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form distorted MgN5 square pyramids that share corners with three equivalent Mg(3)N5 square pyramids,  a cornercorner with one Sn(1)N4 tetrahedra, corners with three equivalent Mg(1)N4 tetrahedra, edges with two equivalent Mg(4)N5 square pyramids, edges with three equivalent Mg(3)N5 square pyramids,  an edgeedge with one Mg(1)N4 tetrahedra, and edges with two equivalent Sn(1)N4 tetrahedra. Sn(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted SnN4 tetrahedra that share  a cornercorner with one Mg(4)N5 square pyramid, corners with three equivalent Mg(3)N5 square pyramids, corners with four equivalent Mg(1)N4 tetrahedra,  an edgeedge with one Mg(3)N5 square pyramid, and edges with two equivalent Mg(4)N5 square pyramids. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(3)Mg5Sn octahedra, corners with two equivalent N(4)Mg5Sn octahedra, corners with two equivalent N(2)Mg3Sn tetrahedra, edges with two equivalent N(1)Mg5Sn octahedra, edges with two equivalent N(3)Mg5Sn octahedra, and edges with four equivalent N(4)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second N site, N(2) is bonded to one Mg(1), two equivalent Mg(2), and one Sn(1) atom to form NMg3Sn tetrahedra that share corners with two equivalent N(1)Mg5Sn octahedra, corners with two equivalent N(4)Mg5Sn octahedra, corners with six equivalent N(3)Mg5Sn octahedra, and  an edgeedge with one N(2)Mg3Sn tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the third N site, N(3) is bonded to one Mg(1), one Mg(3), one Mg(4), two equivalent Mg(2), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(1)Mg5Sn octahedra, corners with six equivalent N(2)Mg3Sn tetrahedra,  an edgeedge with one N(3)Mg5Sn octahedra, edges with two equivalent N(1)Mg5Sn octahedra, and edges with three equivalent N(4)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the fourth N site, N(4) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Sn(1) atom to form NMg5Sn octahedra that share corners with two equivalent N(1)Mg5Sn octahedra, corners with two equivalent N(2)Mg3Sn tetrahedra, edges with two equivalent N(4)Mg5Sn octahedra, edges with three equivalent N(3)Mg5Sn octahedra, and edges with four equivalent N(1)Mg5Sn octahedra. The corner-sharing octahedral tilt angles range from 12-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   5.633
_cell_length_c   8.474
_cell_angle_alpha   70.139
_cell_angle_beta   82.909
_cell_angle_gamma   68.417
_symmetry_Int_Tables_number   1
_cell_volume   233.322
_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  0.724  0.615  0.218  1.0
  Mg  Mg1  1  0.276  0.385  0.782  1.0
  Mg  Mg2  1  0.752  0.245  0.999  1.0
  Mg  Mg3  1  0.248  0.755  0.001  1.0
  Mg  Mg4  1  0.736  0.487  0.573  1.0
  Mg  Mg5  1  0.264  0.513  0.427  1.0
  Mg  Mg6  1  0.260  0.929  0.580  1.0
  Mg  Mg7  1  0.740  0.071  0.420  1.0
  Sn  Sn8  1  0.729  0.834  0.784  1.0
  Sn  Sn9  1  0.271  0.166  0.216  1.0
  N  N10  1  0.996  0.697  0.602  1.0
  N  N11  1  0.004  0.303  0.398  1.0
  N  N12  1  0.846  0.841  1.000  1.0
  N  N13  1  0.154  0.159  0.000  1.0
  N  N14  1  0.496  0.606  0.804  1.0
  N  N15  1  0.504  0.394  0.196  1.0
  N  N16  1  0.490  0.802  0.385  1.0
  N  N17  1  0.510  0.198  0.615  1.0
[/CIF]
.