The material structure described by Y2NCl3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent N(1), one Cl(1), one Cl(3), and three equivalent Cl(2) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent Cl(1), and three equivalent Cl(3) atoms. N(1) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form a mixture of edge and corner-sharing NY4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Y(1) and two equivalent Y(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted rectangular see-saw-like geometry to one Y(1) and three equivalent Y(2) atoms. is represented by the CIF file [CIF]
data_Y2NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.828
_cell_length_b   8.124
_cell_length_c   9.665
_cell_angle_alpha   72.285
_cell_angle_beta   78.577
_cell_angle_gamma   76.373
_symmetry_Int_Tables_number   1
_cell_volume   275.659
_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  0.137  0.019  0.708  1.0
  Y  Y1  1  0.863  0.981  0.292  1.0
  Y  Y2  1  0.412  0.221  0.954  1.0
  Y  Y3  1  0.588  0.779  0.046  1.0
  N  N4  1  0.576  0.004  0.843  1.0
  N  N5  1  0.424  0.996  0.157  1.0
  Cl  Cl6  1  0.949  0.354  0.748  1.0
  Cl  Cl7  1  0.051  0.646  0.252  1.0
  Cl  Cl8  1  0.337  0.814  0.513  1.0
  Cl  Cl9  1  0.663  0.186  0.487  1.0
  Cl  Cl10  1  0.226  0.662  0.885  1.0
  Cl  Cl11  1  0.774  0.338  0.115  1.0
[/CIF]
.
The material structure described by Y2NCl3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent N(1), one Cl(1), one Cl(3), and three equivalent Cl(2) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent Cl(1), and three equivalent Cl(3) atoms. N(1) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form a mixture of edge and corner-sharing NY4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Y(1) and two equivalent Y(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted rectangular see-saw-like geometry to one Y(1) and three equivalent Y(2) atoms. is represented by the CIF file [CIF]
data_Y2NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.828
_cell_length_b   8.124
_cell_length_c   9.665
_cell_angle_alpha   72.285
_cell_angle_beta   78.577
_cell_angle_gamma   76.373
_symmetry_Int_Tables_number   1
_cell_volume   275.659
_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  0.137  0.019  0.708  1.0
  Y  Y1  1  0.863  0.981  0.292  1.0
  Y  Y2  1  0.412  0.221  0.954  1.0
  Y  Y3  1  0.588  0.779  0.046  1.0
  N  N4  1  0.576  0.004  0.843  1.0
  N  N5  1  0.424  0.996  0.157  1.0
  Cl  Cl6  1  0.949  0.354  0.748  1.0
  Cl  Cl7  1  0.051  0.646  0.252  1.0
  Cl  Cl8  1  0.337  0.814  0.513  1.0
  Cl  Cl9  1  0.663  0.186  0.487  1.0
  Cl  Cl10  1  0.226  0.662  0.885  1.0
  Cl  Cl11  1  0.774  0.338  0.115  1.0
[/CIF]
.