The material described by Y2Cd3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form a mixture of edge and corner-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. In the second Cd site, Cd(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Y(1), one Cd(2), and three equivalent Cd(1) atoms to form distorted NY2Cd4 octahedra that share corners with three equivalent N(1)Y2Cd4 octahedra, corners with five equivalent N(2)Y4Cd square pyramids, edges with three equivalent N(1)Y2Cd4 octahedra, and edges with three equivalent N(2)Y4Cd square pyramids. The corner-sharing octahedral tilt angles range from 15-18°. In the second N site, N(2) is bonded to four equivalent Y(1) and one Cd(1) atom to form distorted NY4Cd square pyramids that share corners with five equivalent N(1)Y2Cd4 octahedra, corners with two equivalent N(2)Y4Cd square pyramids, edges with three equivalent N(1)Y2Cd4 octahedra, and edges with five equivalent N(2)Y4Cd square pyramids. The corner-sharing octahedral tilt angles range from 5-94°. is represented by the CIF card [CIF]
data_Y2Cd3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.541
_cell_length_b   9.827
_cell_length_c   4.942
_cell_angle_alpha   90.000
_cell_angle_beta   87.054
_cell_angle_gamma   130.660
_symmetry_Int_Tables_number   1
_cell_volume   277.183
_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  0.780  0.259  0.520  1.0
  Y  Y1  1  0.220  0.479  0.980  1.0
  Y  Y2  1  0.220  0.741  0.480  1.0
  Y  Y3  1  0.780  0.521  0.020  1.0
  Cd  Cd4  1  0.402  0.085  0.062  1.0
  Cd  Cd5  1  0.598  0.683  0.438  1.0
  Cd  Cd6  1  0.598  0.915  0.938  1.0
  Cd  Cd7  1  0.402  0.317  0.562  1.0
  Cd  Cd8  1  0.000  0.903  0.750  1.0
  Cd  Cd9  1  0.000  0.097  0.250  1.0
  N  N10  1  0.334  0.043  0.533  1.0
  N  N11  1  0.666  0.709  0.967  1.0
  N  N12  1  0.666  0.957  0.467  1.0
  N  N13  1  0.334  0.291  0.033  1.0
  N  N14  1  0.805  0.283  0.005  1.0
  N  N15  1  0.195  0.478  0.495  1.0
  N  N16  1  0.195  0.717  0.995  1.0
  N  N17  1  0.805  0.522  0.505  1.0
[/CIF]
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The material described by Y2Cd3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form a mixture of edge and corner-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. In the second Cd site, Cd(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Y(1), one Cd(2), and three equivalent Cd(1) atoms to form distorted NY2Cd4 octahedra that share corners with three equivalent N(1)Y2Cd4 octahedra, corners with five equivalent N(2)Y4Cd square pyramids, edges with three equivalent N(1)Y2Cd4 octahedra, and edges with three equivalent N(2)Y4Cd square pyramids. The corner-sharing octahedral tilt angles range from 15-18°. In the second N site, N(2) is bonded to four equivalent Y(1) and one Cd(1) atom to form distorted NY4Cd square pyramids that share corners with five equivalent N(1)Y2Cd4 octahedra, corners with two equivalent N(2)Y4Cd square pyramids, edges with three equivalent N(1)Y2Cd4 octahedra, and edges with five equivalent N(2)Y4Cd square pyramids. The corner-sharing octahedral tilt angles range from 5-94°. is represented by the CIF card [CIF]
data_Y2Cd3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.541
_cell_length_b   9.827
_cell_length_c   4.942
_cell_angle_alpha   90.000
_cell_angle_beta   87.054
_cell_angle_gamma   130.660
_symmetry_Int_Tables_number   1
_cell_volume   277.183
_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  0.780  0.259  0.520  1.0
  Y  Y1  1  0.220  0.479  0.980  1.0
  Y  Y2  1  0.220  0.741  0.480  1.0
  Y  Y3  1  0.780  0.521  0.020  1.0
  Cd  Cd4  1  0.402  0.085  0.062  1.0
  Cd  Cd5  1  0.598  0.683  0.438  1.0
  Cd  Cd6  1  0.598  0.915  0.938  1.0
  Cd  Cd7  1  0.402  0.317  0.562  1.0
  Cd  Cd8  1  0.000  0.903  0.750  1.0
  Cd  Cd9  1  0.000  0.097  0.250  1.0
  N  N10  1  0.334  0.043  0.533  1.0
  N  N11  1  0.666  0.709  0.967  1.0
  N  N12  1  0.666  0.957  0.467  1.0
  N  N13  1  0.334  0.291  0.033  1.0
  N  N14  1  0.805  0.283  0.005  1.0
  N  N15  1  0.195  0.478  0.495  1.0
  N  N16  1  0.195  0.717  0.995  1.0
  N  N17  1  0.805  0.522  0.505  1.0
[/CIF]
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