The material structure described by Mg2RuN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one N(1), one N(3), one N(4), and two equivalent N(2) atoms to form a mixture of edge and corner-sharing MgN5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to two equivalent N(2) and three equivalent N(3) atoms to form a mixture of edge and corner-sharing MgN5 trigonal bipyramids. Ru(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded to two equivalent Mg(1) and two equivalent Ru(1) atoms to form a mixture of distorted edge and corner-sharing NMg2Ru2 trigonal pyramids. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ru(1) atoms. In the third N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one Ru(1) atom to form NMg4Ru trigonal bipyramids that share corners with two equivalent N(2)Mg4Ru trigonal bipyramids, corners with three equivalent N(3)Mg4Ru trigonal bipyramids,  a cornercorner with one N(4)Mg2Ru2 trigonal pyramid,  an edgeedge with one N(2)Mg4Ru trigonal bipyramid, edges with three equivalent N(3)Mg4Ru trigonal bipyramids, and  an edgeedge with one N(4)Mg2Ru2 trigonal pyramid. In the fourth N site, N(3) is bonded to one Mg(1), three equivalent Mg(2), and one Ru(1) atom to form NMg4Ru trigonal bipyramids that share corners with two equivalent N(3)Mg4Ru trigonal bipyramids, corners with three equivalent N(2)Mg4Ru trigonal bipyramids, corners with two equivalent N(4)Mg2Ru2 trigonal pyramids, edges with two equivalent N(3)Mg4Ru trigonal bipyramids, and edges with three equivalent N(2)Mg4Ru trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   10.409
_cell_length_c   14.917
_cell_angle_alpha   90.000
_cell_angle_beta   91.915
_cell_angle_gamma   159.226
_symmetry_Int_Tables_number   1
_cell_volume   305.202
_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  0.345  0.899  0.847  1.0
  Mg  Mg1  1  0.655  0.554  0.653  1.0
  Mg  Mg2  1  0.655  0.101  0.153  1.0
  Mg  Mg3  1  0.345  0.446  0.347  1.0
  Mg  Mg4  1  0.518  0.869  0.523  1.0
  Mg  Mg5  1  0.482  0.351  0.977  1.0
  Mg  Mg6  1  0.482  0.131  0.477  1.0
  Mg  Mg7  1  0.518  0.649  0.023  1.0
  Ru  Ru8  1  0.591  0.241  0.667  1.0
  Ru  Ru9  1  0.409  0.650  0.833  1.0
  Ru  Ru10  1  0.409  0.759  0.333  1.0
  Ru  Ru11  1  0.591  0.350  0.167  1.0
  N  N12  1  0.000  0.576  0.750  1.0
  N  N13  1  0.000  0.424  0.250  1.0
  N  N14  1  0.646  0.106  0.604  1.0
  N  N15  1  0.354  0.461  0.896  1.0
  N  N16  1  0.354  0.894  0.396  1.0
  N  N17  1  0.646  0.539  0.104  1.0
  N  N18  1  0.530  0.206  0.068  1.0
  N  N19  1  0.470  0.676  0.432  1.0
  N  N20  1  0.470  0.794  0.932  1.0
  N  N21  1  0.530  0.324  0.568  1.0
  N  N22  1  0.000  0.883  0.750  1.0
  N  N23  1  0.000  0.117  0.250  1.0
[/CIF]
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The material structure described by Mg2RuN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one N(1), one N(3), one N(4), and two equivalent N(2) atoms to form a mixture of edge and corner-sharing MgN5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to two equivalent N(2) and three equivalent N(3) atoms to form a mixture of edge and corner-sharing MgN5 trigonal bipyramids. Ru(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded to two equivalent Mg(1) and two equivalent Ru(1) atoms to form a mixture of distorted edge and corner-sharing NMg2Ru2 trigonal pyramids. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ru(1) atoms. In the third N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one Ru(1) atom to form NMg4Ru trigonal bipyramids that share corners with two equivalent N(2)Mg4Ru trigonal bipyramids, corners with three equivalent N(3)Mg4Ru trigonal bipyramids,  a cornercorner with one N(4)Mg2Ru2 trigonal pyramid,  an edgeedge with one N(2)Mg4Ru trigonal bipyramid, edges with three equivalent N(3)Mg4Ru trigonal bipyramids, and  an edgeedge with one N(4)Mg2Ru2 trigonal pyramid. In the fourth N site, N(3) is bonded to one Mg(1), three equivalent Mg(2), and one Ru(1) atom to form NMg4Ru trigonal bipyramids that share corners with two equivalent N(3)Mg4Ru trigonal bipyramids, corners with three equivalent N(2)Mg4Ru trigonal bipyramids, corners with two equivalent N(4)Mg2Ru2 trigonal pyramids, edges with two equivalent N(3)Mg4Ru trigonal bipyramids, and edges with three equivalent N(2)Mg4Ru trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   10.409
_cell_length_c   14.917
_cell_angle_alpha   90.000
_cell_angle_beta   91.915
_cell_angle_gamma   159.226
_symmetry_Int_Tables_number   1
_cell_volume   305.202
_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  0.345  0.899  0.847  1.0
  Mg  Mg1  1  0.655  0.554  0.653  1.0
  Mg  Mg2  1  0.655  0.101  0.153  1.0
  Mg  Mg3  1  0.345  0.446  0.347  1.0
  Mg  Mg4  1  0.518  0.869  0.523  1.0
  Mg  Mg5  1  0.482  0.351  0.977  1.0
  Mg  Mg6  1  0.482  0.131  0.477  1.0
  Mg  Mg7  1  0.518  0.649  0.023  1.0
  Ru  Ru8  1  0.591  0.241  0.667  1.0
  Ru  Ru9  1  0.409  0.650  0.833  1.0
  Ru  Ru10  1  0.409  0.759  0.333  1.0
  Ru  Ru11  1  0.591  0.350  0.167  1.0
  N  N12  1  0.000  0.576  0.750  1.0
  N  N13  1  0.000  0.424  0.250  1.0
  N  N14  1  0.646  0.106  0.604  1.0
  N  N15  1  0.354  0.461  0.896  1.0
  N  N16  1  0.354  0.894  0.396  1.0
  N  N17  1  0.646  0.539  0.104  1.0
  N  N18  1  0.530  0.206  0.068  1.0
  N  N19  1  0.470  0.676  0.432  1.0
  N  N20  1  0.470  0.794  0.932  1.0
  N  N21  1  0.530  0.324  0.568  1.0
  N  N22  1  0.000  0.883  0.750  1.0
  N  N23  1  0.000  0.117  0.250  1.0
[/CIF]
.