The compound described by Y2Zn3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent N(1) atoms. In the second Zn site, Zn(2) is bonded in a bent 150 degrees geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Y(1) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing NY3Zn2 trigonal bipyramids. In the second N site, N(2) is bonded to three equivalent Y(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing NY3Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Zn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.823
_cell_length_b   7.179
_cell_length_c   6.346
_cell_angle_alpha   90.000
_cell_angle_beta   91.459
_cell_angle_gamma   121.741
_symmetry_Int_Tables_number   1
_cell_volume   264.239
_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  0.716  0.230  0.642  1.0
  Y  Y1  1  0.284  0.514  0.858  1.0
  Y  Y2  1  0.284  0.770  0.358  1.0
  Y  Y3  1  0.716  0.486  0.142  1.0
  Zn  Zn4  1  0.305  0.068  0.030  1.0
  Zn  Zn5  1  0.695  0.763  0.470  1.0
  Zn  Zn6  1  0.695  0.932  0.970  1.0
  Zn  Zn7  1  0.305  0.237  0.530  1.0
  Zn  Zn8  1  0.000  0.739  0.750  1.0
  Zn  Zn9  1  0.000  0.261  0.250  1.0
  N  N10  1  0.467  0.154  0.332  1.0
  N  N11  1  0.533  0.687  0.168  1.0
  N  N12  1  0.533  0.846  0.668  1.0
  N  N13  1  0.467  0.313  0.832  1.0
  N  N14  1  0.901  0.252  0.976  1.0
  N  N15  1  0.099  0.351  0.524  1.0
  N  N16  1  0.099  0.748  0.024  1.0
  N  N17  1  0.901  0.649  0.476  1.0
[/CIF]
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The compound described by Y2Zn3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent N(1) atoms. In the second Zn site, Zn(2) is bonded in a bent 150 degrees geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Y(1) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing NY3Zn2 trigonal bipyramids. In the second N site, N(2) is bonded to three equivalent Y(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing NY3Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Zn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.823
_cell_length_b   7.179
_cell_length_c   6.346
_cell_angle_alpha   90.000
_cell_angle_beta   91.459
_cell_angle_gamma   121.741
_symmetry_Int_Tables_number   1
_cell_volume   264.239
_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  0.716  0.230  0.642  1.0
  Y  Y1  1  0.284  0.514  0.858  1.0
  Y  Y2  1  0.284  0.770  0.358  1.0
  Y  Y3  1  0.716  0.486  0.142  1.0
  Zn  Zn4  1  0.305  0.068  0.030  1.0
  Zn  Zn5  1  0.695  0.763  0.470  1.0
  Zn  Zn6  1  0.695  0.932  0.970  1.0
  Zn  Zn7  1  0.305  0.237  0.530  1.0
  Zn  Zn8  1  0.000  0.739  0.750  1.0
  Zn  Zn9  1  0.000  0.261  0.250  1.0
  N  N10  1  0.467  0.154  0.332  1.0
  N  N11  1  0.533  0.687  0.168  1.0
  N  N12  1  0.533  0.846  0.668  1.0
  N  N13  1  0.467  0.313  0.832  1.0
  N  N14  1  0.901  0.252  0.976  1.0
  N  N15  1  0.099  0.351  0.524  1.0
  N  N16  1  0.099  0.748  0.024  1.0
  N  N17  1  0.901  0.649  0.476  1.0
[/CIF]
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