The crystal structure described by Mg2RuN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and three equivalent N(1) atoms to form MgN4 tetrahedra that share corners with five equivalent Ru(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Ru(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form RuN4 tetrahedra that share corners with two equivalent Ru(1)N4 tetrahedra and corners with ten equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and one Ru(1) atom to form NMg3Ru tetrahedra that share corners with five equivalent N(2)Mg2Ru2 tetrahedra and corners with seven equivalent N(1)Mg3Ru tetrahedra. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Ru(1) atoms to form NMg2Ru2 tetrahedra that share corners with two equivalent N(2)Mg2Ru2 tetrahedra and corners with ten equivalent N(1)Mg3Ru tetrahedra. is represented by the CIF file [CIF]
data_Mg2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.861
_cell_length_c   5.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.924
_symmetry_Int_Tables_number   1
_cell_volume   155.480
_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  0.328  0.336  0.483  1.0
  Mg  Mg1  1  0.672  0.007  0.483  1.0
  Mg  Mg2  1  0.672  0.664  0.983  1.0
  Mg  Mg3  1  0.328  0.993  0.983  1.0
  Ru  Ru4  1  0.000  0.680  0.488  1.0
  Ru  Ru5  1  0.000  0.320  0.988  1.0
  N  N6  1  0.313  0.333  0.889  1.0
  N  N7  1  0.687  0.020  0.889  1.0
  N  N8  1  0.687  0.667  0.389  1.0
  N  N9  1  0.313  0.980  0.389  1.0
  N  N10  1  0.000  0.631  0.856  1.0
  N  N11  1  0.000  0.369  0.356  1.0
[/CIF]
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The crystal structure described by Mg2RuN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and three equivalent N(1) atoms to form MgN4 tetrahedra that share corners with five equivalent Ru(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Ru(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form RuN4 tetrahedra that share corners with two equivalent Ru(1)N4 tetrahedra and corners with ten equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and one Ru(1) atom to form NMg3Ru tetrahedra that share corners with five equivalent N(2)Mg2Ru2 tetrahedra and corners with seven equivalent N(1)Mg3Ru tetrahedra. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Ru(1) atoms to form NMg2Ru2 tetrahedra that share corners with two equivalent N(2)Mg2Ru2 tetrahedra and corners with ten equivalent N(1)Mg3Ru tetrahedra. is represented by the CIF file [CIF]
data_Mg2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.861
_cell_length_c   5.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.924
_symmetry_Int_Tables_number   1
_cell_volume   155.480
_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  0.328  0.336  0.483  1.0
  Mg  Mg1  1  0.672  0.007  0.483  1.0
  Mg  Mg2  1  0.672  0.664  0.983  1.0
  Mg  Mg3  1  0.328  0.993  0.983  1.0
  Ru  Ru4  1  0.000  0.680  0.488  1.0
  Ru  Ru5  1  0.000  0.320  0.988  1.0
  N  N6  1  0.313  0.333  0.889  1.0
  N  N7  1  0.687  0.020  0.889  1.0
  N  N8  1  0.687  0.667  0.389  1.0
  N  N9  1  0.313  0.980  0.389  1.0
  N  N10  1  0.000  0.631  0.856  1.0
  N  N11  1  0.000  0.369  0.356  1.0
[/CIF]
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