The material described by Mo2(CN2)3 crystallizes in the trigonal R-3c space group. Mo(1) is bonded to six equivalent N(1) atoms to form edge-sharing MoN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one C(1) atom. is represented by the CIF card [CIF]
data_Mo2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.668
_cell_length_b   5.127
_cell_length_c   30.748
_cell_angle_alpha   90.000
_cell_angle_beta   163.886
_cell_angle_gamma   76.095
_symmetry_Int_Tables_number   1
_cell_volume   233.551
_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
  Mo  Mo0  1  1.000  0.000  0.167  1.0
  Mo  Mo1  1  1.000  0.000  0.667  1.0
  Mo  Mo2  1  0.000  1.000  0.833  1.0
  Mo  Mo3  1  0.000  1.000  0.333  1.0
  C  C4  1  0.003  0.665  0.084  1.0
  C  C5  1  1.000  0.665  0.750  1.0
  C  C6  1  0.997  0.669  0.416  1.0
  C  C7  1  0.003  0.331  0.584  1.0
  C  C8  1  0.997  0.335  0.916  1.0
  C  C9  1  1.000  0.335  0.250  1.0
  N  N10  1  0.968  0.694  0.113  1.0
  N  N11  1  0.050  0.644  0.807  1.0
  N  N12  1  0.983  0.662  0.451  1.0
  N  N13  1  0.968  0.338  0.613  1.0
  N  N14  1  0.983  0.356  0.951  1.0
  N  N15  1  0.050  0.306  0.307  1.0
  N  N16  1  0.032  0.306  0.887  1.0
  N  N17  1  0.950  0.356  0.193  1.0
  N  N18  1  0.017  0.338  0.549  1.0
  N  N19  1  0.032  0.662  0.387  1.0
  N  N20  1  0.017  0.644  0.049  1.0
  N  N21  1  0.950  0.694  0.693  1.0
[/CIF]
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The material described by Mo2(CN2)3 crystallizes in the trigonal R-3c space group. Mo(1) is bonded to six equivalent N(1) atoms to form edge-sharing MoN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one C(1) atom. is represented by the CIF card [CIF]
data_Mo2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.668
_cell_length_b   5.127
_cell_length_c   30.748
_cell_angle_alpha   90.000
_cell_angle_beta   163.886
_cell_angle_gamma   76.095
_symmetry_Int_Tables_number   1
_cell_volume   233.551
_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
  Mo  Mo0  1  1.000  0.000  0.167  1.0
  Mo  Mo1  1  1.000  0.000  0.667  1.0
  Mo  Mo2  1  0.000  1.000  0.833  1.0
  Mo  Mo3  1  0.000  1.000  0.333  1.0
  C  C4  1  0.003  0.665  0.084  1.0
  C  C5  1  1.000  0.665  0.750  1.0
  C  C6  1  0.997  0.669  0.416  1.0
  C  C7  1  0.003  0.331  0.584  1.0
  C  C8  1  0.997  0.335  0.916  1.0
  C  C9  1  1.000  0.335  0.250  1.0
  N  N10  1  0.968  0.694  0.113  1.0
  N  N11  1  0.050  0.644  0.807  1.0
  N  N12  1  0.983  0.662  0.451  1.0
  N  N13  1  0.968  0.338  0.613  1.0
  N  N14  1  0.983  0.356  0.951  1.0
  N  N15  1  0.050  0.306  0.307  1.0
  N  N16  1  0.032  0.306  0.887  1.0
  N  N17  1  0.950  0.356  0.193  1.0
  N  N18  1  0.017  0.338  0.549  1.0
  N  N19  1  0.032  0.662  0.387  1.0
  N  N20  1  0.017  0.644  0.049  1.0
  N  N21  1  0.950  0.694  0.693  1.0
[/CIF]
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