The structure described by Ca(ZnN)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent Ca(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 Ca(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent Ca(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-52°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(ZnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.446
_cell_length_b   3.446
_cell_length_c   5.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   61.613
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.667  0.333  0.138  1.0
  Zn  Zn2  1  0.333  0.667  0.862  1.0
  N  N3  1  0.667  0.333  0.762  1.0
  N  N4  1  0.333  0.667  0.238  1.0
[/CIF]
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The structure described by Ca(ZnN)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent Ca(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 Ca(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent Ca(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-52°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(ZnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.446
_cell_length_b   3.446
_cell_length_c   5.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   61.613
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.667  0.333  0.138  1.0
  Zn  Zn2  1  0.333  0.667  0.862  1.0
  N  N3  1  0.667  0.333  0.762  1.0
  N  N4  1  0.333  0.667  0.238  1.0
[/CIF]
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