The material structure described by Ca2PdN2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. Pd(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one Pd(1) atom to form a mixture of corner and edge-sharing NCa5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Ca2PdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.561
_cell_length_b   3.561
_cell_length_c   6.852
_cell_angle_alpha   105.064
_cell_angle_beta   105.063
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.814
_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
  Ca  Ca0  1  0.155  0.155  0.811  1.0
  Ca  Ca1  1  0.845  0.845  0.189  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.653  0.653  0.806  1.0
  N  N4  1  0.347  0.347  0.194  1.0
[/CIF]
.
The material structure described by Ca2PdN2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. Pd(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one Pd(1) atom to form a mixture of corner and edge-sharing NCa5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Ca2PdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.561
_cell_length_b   3.561
_cell_length_c   6.852
_cell_angle_alpha   105.064
_cell_angle_beta   105.063
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.814
_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
  Ca  Ca0  1  0.155  0.155  0.811  1.0
  Ca  Ca1  1  0.845  0.845  0.189  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.653  0.653  0.806  1.0
  N  N4  1  0.347  0.347  0.194  1.0
[/CIF]
.