The material structure described by Ba2ZnN2 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. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing NBa5Zn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Ba2ZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.197
_cell_length_b   4.197
_cell_length_c   7.138
_cell_angle_alpha   107.096
_cell_angle_beta   107.096
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.339
_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  0.655  0.655  0.309  1.0
  Ba  Ba1  1  0.345  0.345  0.691  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.859  0.859  0.719  1.0
  N  N4  1  0.141  0.141  0.281  1.0
[/CIF]
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The material structure described by Ba2ZnN2 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. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing NBa5Zn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Ba2ZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.197
_cell_length_b   4.197
_cell_length_c   7.138
_cell_angle_alpha   107.096
_cell_angle_beta   107.096
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.339
_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  0.655  0.655  0.309  1.0
  Ba  Ba1  1  0.345  0.345  0.691  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.859  0.859  0.719  1.0
  N  N4  1  0.141  0.141  0.281  1.0
[/CIF]
.