The compound described by Mn2(CN2)3 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing MnN6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(2) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Mn2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.846
_cell_length_b   5.291
_cell_length_c   28.110
_cell_angle_alpha   90.000
_cell_angle_beta   161.905
_cell_angle_gamma   74.413
_symmetry_Int_Tables_number   1
_cell_volume   228.111
_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  0.995  0.002  0.164  1.0
  Mn  Mn1  1  0.995  0.003  0.664  1.0
  Mn  Mn2  1  0.005  0.998  0.836  1.0
  Mn  Mn3  1  0.005  0.997  0.336  1.0
  C  C4  1  0.961  0.689  0.069  1.0
  C  C5  1  0.000  0.677  0.750  1.0
  C  C6  1  0.039  0.649  0.431  1.0
  C  C7  1  0.961  0.351  0.569  1.0
  C  C8  1  0.039  0.312  0.931  1.0
  C  C9  1  0.000  0.323  0.250  1.0
  N  N10  1  0.876  0.759  0.084  1.0
  N  N11  1  0.140  0.614  0.840  1.0
  N  N12  1  0.989  0.637  0.458  1.0
  N  N13  1  0.876  0.365  0.584  1.0
  N  N14  1  0.989  0.374  0.958  1.0
  N  N15  1  0.140  0.246  0.340  1.0
  N  N16  1  0.124  0.241  0.916  1.0
  N  N17  1  0.860  0.386  0.160  1.0
  N  N18  1  0.010  0.363  0.542  1.0
  N  N19  1  0.124  0.635  0.416  1.0
  N  N20  1  0.010  0.627  0.042  1.0
  N  N21  1  0.860  0.754  0.660  1.0
[/CIF]
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The compound described by Mn2(CN2)3 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing MnN6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(2) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Mn2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.846
_cell_length_b   5.291
_cell_length_c   28.110
_cell_angle_alpha   90.000
_cell_angle_beta   161.905
_cell_angle_gamma   74.413
_symmetry_Int_Tables_number   1
_cell_volume   228.111
_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  0.995  0.002  0.164  1.0
  Mn  Mn1  1  0.995  0.003  0.664  1.0
  Mn  Mn2  1  0.005  0.998  0.836  1.0
  Mn  Mn3  1  0.005  0.997  0.336  1.0
  C  C4  1  0.961  0.689  0.069  1.0
  C  C5  1  0.000  0.677  0.750  1.0
  C  C6  1  0.039  0.649  0.431  1.0
  C  C7  1  0.961  0.351  0.569  1.0
  C  C8  1  0.039  0.312  0.931  1.0
  C  C9  1  0.000  0.323  0.250  1.0
  N  N10  1  0.876  0.759  0.084  1.0
  N  N11  1  0.140  0.614  0.840  1.0
  N  N12  1  0.989  0.637  0.458  1.0
  N  N13  1  0.876  0.365  0.584  1.0
  N  N14  1  0.989  0.374  0.958  1.0
  N  N15  1  0.140  0.246  0.340  1.0
  N  N16  1  0.124  0.241  0.916  1.0
  N  N17  1  0.860  0.386  0.160  1.0
  N  N18  1  0.010  0.363  0.542  1.0
  N  N19  1  0.124  0.635  0.416  1.0
  N  N20  1  0.010  0.627  0.042  1.0
  N  N21  1  0.860  0.754  0.660  1.0
[/CIF]
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