The crystal structure described by Zn2SbN3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Sb(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. Sb(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SbN4 tetrahedra that share corners with two equivalent Sb(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Zn(1) and one Sb(1) atom to form NZn3Sb tetrahedra that share corners with five equivalent N(2)Zn2Sb2 tetrahedra and corners with seven equivalent N(1)Zn3Sb tetrahedra. In the second N site, N(2) is bonded to two equivalent Zn(1) and two equivalent Sb(1) atoms to form NZn2Sb2 tetrahedra that share corners with two equivalent N(2)Zn2Sb2 tetrahedra and corners with ten equivalent N(1)Zn3Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2SbN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.754
_cell_length_c   5.767
_cell_angle_alpha   119.923
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.479
_cell_formula_units_Z   2
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
  N  N0  1  0.419  0.997  0.329  1.0
  N  N1  1  0.919  0.003  0.671  1.0
  N  N2  1  0.419  0.667  0.671  1.0
  N  N3  1  0.919  0.333  0.329  1.0
  N  N4  1  0.927  0.658  1.000  1.0
  N  N5  1  0.427  0.342  1.000  1.0
  Sb  Sb6  1  0.305  0.678  1.000  1.0
  Sb  Sb7  1  0.805  0.322  1.000  1.0
  Zn  Zn8  1  0.794  0.010  0.345  1.0
  Zn  Zn9  1  0.294  0.990  0.655  1.0
  Zn  Zn10  1  0.794  0.665  0.655  1.0
  Zn  Zn11  1  0.294  0.335  0.345  1.0
[/CIF]
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The crystal structure described by Zn2SbN3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Sb(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. Sb(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SbN4 tetrahedra that share corners with two equivalent Sb(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Zn(1) and one Sb(1) atom to form NZn3Sb tetrahedra that share corners with five equivalent N(2)Zn2Sb2 tetrahedra and corners with seven equivalent N(1)Zn3Sb tetrahedra. In the second N site, N(2) is bonded to two equivalent Zn(1) and two equivalent Sb(1) atoms to form NZn2Sb2 tetrahedra that share corners with two equivalent N(2)Zn2Sb2 tetrahedra and corners with ten equivalent N(1)Zn3Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2SbN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.754
_cell_length_c   5.767
_cell_angle_alpha   119.923
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.479
_cell_formula_units_Z   2
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
  N  N0  1  0.419  0.997  0.329  1.0
  N  N1  1  0.919  0.003  0.671  1.0
  N  N2  1  0.419  0.667  0.671  1.0
  N  N3  1  0.919  0.333  0.329  1.0
  N  N4  1  0.927  0.658  1.000  1.0
  N  N5  1  0.427  0.342  1.000  1.0
  Sb  Sb6  1  0.305  0.678  1.000  1.0
  Sb  Sb7  1  0.805  0.322  1.000  1.0
  Zn  Zn8  1  0.794  0.010  0.345  1.0
  Zn  Zn9  1  0.294  0.990  0.655  1.0
  Zn  Zn10  1  0.794  0.665  0.655  1.0
  Zn  Zn11  1  0.294  0.335  0.345  1.0
[/CIF]
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