The crystal structure described by Y2Co3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate 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 to two equivalent Y(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing NY2Co3 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to three equivalent Y(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Y2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.743
_cell_length_b   7.926
_cell_length_c   6.598
_cell_angle_alpha   90.000
_cell_angle_beta   82.368
_cell_angle_gamma   133.631
_symmetry_Int_Tables_number   1
_cell_volume   213.721
_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
  Y  Y0  1  0.672  0.215  0.661  1.0
  Y  Y1  1  0.328  0.543  0.839  1.0
  Y  Y2  1  0.328  0.785  0.339  1.0
  Y  Y3  1  0.672  0.457  0.161  1.0
  Co  Co4  1  0.218  0.990  0.036  1.0
  Co  Co5  1  0.782  0.772  0.464  1.0
  Co  Co6  1  0.782  0.010  0.964  1.0
  Co  Co7  1  0.218  0.228  0.536  1.0
  Co  Co8  1  0.000  0.745  0.750  1.0
  Co  Co9  1  0.000  0.255  0.250  1.0
  N  N10  1  0.205  0.983  0.521  1.0
  N  N11  1  0.795  0.778  0.979  1.0
  N  N12  1  0.795  0.017  0.479  1.0
  N  N13  1  0.205  0.222  0.021  1.0
  N  N14  1  0.741  0.221  0.037  1.0
  N  N15  1  0.259  0.479  0.463  1.0
  N  N16  1  0.259  0.779  0.963  1.0
  N  N17  1  0.741  0.521  0.537  1.0
[/CIF]
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The crystal structure described by Y2Co3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate 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 to two equivalent Y(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing NY2Co3 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to three equivalent Y(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Y2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.743
_cell_length_b   7.926
_cell_length_c   6.598
_cell_angle_alpha   90.000
_cell_angle_beta   82.368
_cell_angle_gamma   133.631
_symmetry_Int_Tables_number   1
_cell_volume   213.721
_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
  Y  Y0  1  0.672  0.215  0.661  1.0
  Y  Y1  1  0.328  0.543  0.839  1.0
  Y  Y2  1  0.328  0.785  0.339  1.0
  Y  Y3  1  0.672  0.457  0.161  1.0
  Co  Co4  1  0.218  0.990  0.036  1.0
  Co  Co5  1  0.782  0.772  0.464  1.0
  Co  Co6  1  0.782  0.010  0.964  1.0
  Co  Co7  1  0.218  0.228  0.536  1.0
  Co  Co8  1  0.000  0.745  0.750  1.0
  Co  Co9  1  0.000  0.255  0.250  1.0
  N  N10  1  0.205  0.983  0.521  1.0
  N  N11  1  0.795  0.778  0.979  1.0
  N  N12  1  0.795  0.017  0.479  1.0
  N  N13  1  0.205  0.222  0.021  1.0
  N  N14  1  0.741  0.221  0.037  1.0
  N  N15  1  0.259  0.479  0.463  1.0
  N  N16  1  0.259  0.779  0.963  1.0
  N  N17  1  0.741  0.521  0.537  1.0
[/CIF]
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