The crystal structure described by Mn2RuN3 crystallizes in the orthorhombic Cmc2_1 space group. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted corner-sharing MnN4 trigonal pyramids. Ru(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to three equivalent Mn(1) and one Ru(1) atom. In the second N site, N(2) is bonded to two equivalent Mn(1) and two equivalent Ru(1) atoms to form corner-sharing NMn2Ru2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.517
_cell_length_c   4.923
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.123
_symmetry_Int_Tables_number   1
_cell_volume   119.346
_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
  Mn  Mn0  1  0.357  0.386  0.520  1.0
  Mn  Mn1  1  0.643  0.028  0.520  1.0
  Mn  Mn2  1  0.643  0.614  0.020  1.0
  Mn  Mn3  1  0.357  0.972  0.020  1.0
  Ru  Ru4  1  0.000  0.642  0.443  1.0
  Ru  Ru5  1  0.000  0.358  0.943  1.0
  N  N6  1  0.331  0.275  0.881  1.0
  N  N7  1  0.669  0.943  0.881  1.0
  N  N8  1  0.669  0.725  0.381  1.0
  N  N9  1  0.331  0.057  0.381  1.0
  N  N10  1  0.000  0.712  0.842  1.0
  N  N11  1  0.000  0.288  0.342  1.0
[/CIF]
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The crystal structure described by Mn2RuN3 crystallizes in the orthorhombic Cmc2_1 space group. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted corner-sharing MnN4 trigonal pyramids. Ru(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to three equivalent Mn(1) and one Ru(1) atom. In the second N site, N(2) is bonded to two equivalent Mn(1) and two equivalent Ru(1) atoms to form corner-sharing NMn2Ru2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.517
_cell_length_c   4.923
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.123
_symmetry_Int_Tables_number   1
_cell_volume   119.346
_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
  Mn  Mn0  1  0.357  0.386  0.520  1.0
  Mn  Mn1  1  0.643  0.028  0.520  1.0
  Mn  Mn2  1  0.643  0.614  0.020  1.0
  Mn  Mn3  1  0.357  0.972  0.020  1.0
  Ru  Ru4  1  0.000  0.642  0.443  1.0
  Ru  Ru5  1  0.000  0.358  0.943  1.0
  N  N6  1  0.331  0.275  0.881  1.0
  N  N7  1  0.669  0.943  0.881  1.0
  N  N8  1  0.669  0.725  0.381  1.0
  N  N9  1  0.331  0.057  0.381  1.0
  N  N10  1  0.000  0.712  0.842  1.0
  N  N11  1  0.000  0.288  0.342  1.0
[/CIF]
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