The material described by Ba(ZnN)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent N(1) atoms to form distorted BaN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent Ba(1)N6 octahedra, and edges with six equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to four equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with six equivalent Ba(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent Ba(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-48°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ba(ZnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.666
_cell_length_b   3.666
_cell_length_c   6.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   76.786
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.667  0.333  0.120  1.0
  Zn  Zn2  1  0.333  0.667  0.880  1.0
  N  N3  1  0.667  0.333  0.791  1.0
  N  N4  1  0.333  0.667  0.209  1.0
[/CIF]
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The material described by Ba(ZnN)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent N(1) atoms to form distorted BaN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent Ba(1)N6 octahedra, and edges with six equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to four equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with six equivalent Ba(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent Ba(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-48°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ba(ZnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.666
_cell_length_b   3.666
_cell_length_c   6.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   76.786
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.667  0.333  0.120  1.0
  Zn  Zn2  1  0.333  0.667  0.880  1.0
  N  N3  1  0.667  0.333  0.791  1.0
  N  N4  1  0.333  0.667  0.209  1.0
[/CIF]
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