The material structure described by Mn2(CN2)3 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to one N(3), two equivalent N(1), and three equivalent N(2) atoms to form distorted 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(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the second N site, N(2) is bonded to three equivalent Mn(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing NMn3C tetrahedra. In the third N site, N(3) is bonded in a linear geometry to one Mn(1) and one C(2) atom. is represented by the CIF file [CIF]
data_Mn2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.070
_cell_length_b   3.323
_cell_length_c   5.129
_cell_angle_alpha   90.000
_cell_angle_beta   61.030
_cell_angle_gamma   80.501
_symmetry_Int_Tables_number   1
_cell_volume   147.478
_cell_formula_units_Z   1
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  0.345  0.828  0.031  1.0
  Mn  Mn1  1  0.655  0.172  0.969  1.0
  C  C2  1  0.632  0.684  0.485  1.0
  C  C3  1  0.368  0.316  0.515  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  N  N5  1  0.328  0.336  0.781  1.0
  N  N6  1  0.672  0.664  0.219  1.0
  N  N7  1  0.414  0.293  0.239  1.0
  N  N8  1  0.586  0.707  0.761  1.0
  N  N9  1  0.140  0.930  0.343  1.0
  N  N10  1  0.860  0.070  0.657  1.0
[/CIF]
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The material structure described by Mn2(CN2)3 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded to one N(3), two equivalent N(1), and three equivalent N(2) atoms to form distorted 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(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the second N site, N(2) is bonded to three equivalent Mn(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing NMn3C tetrahedra. In the third N site, N(3) is bonded in a linear geometry to one Mn(1) and one C(2) atom. is represented by the CIF file [CIF]
data_Mn2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.070
_cell_length_b   3.323
_cell_length_c   5.129
_cell_angle_alpha   90.000
_cell_angle_beta   61.030
_cell_angle_gamma   80.501
_symmetry_Int_Tables_number   1
_cell_volume   147.478
_cell_formula_units_Z   1
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  0.345  0.828  0.031  1.0
  Mn  Mn1  1  0.655  0.172  0.969  1.0
  C  C2  1  0.632  0.684  0.485  1.0
  C  C3  1  0.368  0.316  0.515  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  N  N5  1  0.328  0.336  0.781  1.0
  N  N6  1  0.672  0.664  0.219  1.0
  N  N7  1  0.414  0.293  0.239  1.0
  N  N8  1  0.586  0.707  0.761  1.0
  N  N9  1  0.140  0.930  0.343  1.0
  N  N10  1  0.860  0.070  0.657  1.0
[/CIF]
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