The compound described by Ba2CdN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing BaN5 square pyramids. Cd(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Cd(1) atom to form a mixture of corner and edge-sharing NBa5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Ba2CdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   4.240
_cell_length_c   7.567
_cell_angle_alpha   106.270
_cell_angle_beta   106.273
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.943
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.839  0.839  0.177  1.0
  Ba  Ba1  1  0.161  0.161  0.823  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.351  0.351  0.201  1.0
  N  N4  1  0.649  0.649  0.799  1.0
[/CIF]
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The compound described by Ba2CdN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing BaN5 square pyramids. Cd(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Cd(1) atom to form a mixture of corner and edge-sharing NBa5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Ba2CdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   4.240
_cell_length_c   7.567
_cell_angle_alpha   106.270
_cell_angle_beta   106.273
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.943
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.839  0.839  0.177  1.0
  Ba  Ba1  1  0.161  0.161  0.823  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.351  0.351  0.201  1.0
  N  N4  1  0.649  0.649  0.799  1.0
[/CIF]
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