The structure described by MgSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent N(1) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Si(1)N4 tetrahedra. Si(1) is bonded to four equivalent N(1) atoms to form SiN4 tetrahedra that share corners with four equivalent Si(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. N(1) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form corner-sharing NMg2Si2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.582
_cell_length_b   4.582
_cell_length_c   5.148
_cell_angle_alpha   116.428
_cell_angle_beta   116.428
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.997
_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  0.250  0.750  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.750  0.250  0.500  1.0
  N  N4  1  0.812  0.875  0.250  1.0
  N  N5  1  0.625  0.188  0.750  1.0
  N  N6  1  0.438  0.375  0.250  1.0
  N  N7  1  0.125  0.562  0.750  1.0
[/CIF]
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The structure described by MgSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent N(1) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Si(1)N4 tetrahedra. Si(1) is bonded to four equivalent N(1) atoms to form SiN4 tetrahedra that share corners with four equivalent Si(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. N(1) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form corner-sharing NMg2Si2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.582
_cell_length_b   4.582
_cell_length_c   5.148
_cell_angle_alpha   116.428
_cell_angle_beta   116.428
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.997
_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  0.250  0.750  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.750  0.250  0.500  1.0
  N  N4  1  0.812  0.875  0.250  1.0
  N  N5  1  0.625  0.188  0.750  1.0
  N  N6  1  0.438  0.375  0.250  1.0
  N  N7  1  0.125  0.562  0.750  1.0
[/CIF]
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