The structure described by Zn2NBr crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent Br(1) atoms. In the second Zn site, Zn(2) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) and two equivalent Br(1) atoms. N(1) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form NZn4 tetrahedra that share corners with four equivalent N(1)Zn4 tetrahedra and corners with eight equivalent Br(1)Zn4 tetrahedra. Br(1) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form distorted BrZn4 tetrahedra that share corners with four equivalent Br(1)Zn4 tetrahedra and corners with eight equivalent N(1)Zn4 tetrahedra. is represented by the CIF file [CIF]
data_Zn2BrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.280
_cell_length_c   7.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.079
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.093  0.868  0.682  1.0
  Zn  Zn1  1  0.593  0.132  0.318  1.0
  Zn  Zn2  1  0.593  0.632  0.182  1.0
  Zn  Zn3  1  0.093  0.368  0.818  1.0
  Zn  Zn4  1  0.405  0.019  0.968  1.0
  Zn  Zn5  1  0.905  0.981  0.032  1.0
  Zn  Zn6  1  0.905  0.481  0.468  1.0
  Zn  Zn7  1  0.405  0.519  0.532  1.0
  Br  Br8  1  0.125  0.081  0.380  1.0
  Br  Br9  1  0.625  0.919  0.620  1.0
  Br  Br10  1  0.625  0.419  0.880  1.0
  Br  Br11  1  0.125  0.581  0.120  1.0
  N  N12  1  0.125  0.568  0.627  1.0
  N  N13  1  0.625  0.432  0.373  1.0
  N  N14  1  0.625  0.932  0.127  1.0
  N  N15  1  0.125  0.068  0.873  1.0
[/CIF]
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The structure described by Zn2NBr crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent Br(1) atoms. In the second Zn site, Zn(2) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) and two equivalent Br(1) atoms. N(1) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form NZn4 tetrahedra that share corners with four equivalent N(1)Zn4 tetrahedra and corners with eight equivalent Br(1)Zn4 tetrahedra. Br(1) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form distorted BrZn4 tetrahedra that share corners with four equivalent Br(1)Zn4 tetrahedra and corners with eight equivalent N(1)Zn4 tetrahedra. is represented by the CIF file [CIF]
data_Zn2BrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.280
_cell_length_c   7.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.079
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.093  0.868  0.682  1.0
  Zn  Zn1  1  0.593  0.132  0.318  1.0
  Zn  Zn2  1  0.593  0.632  0.182  1.0
  Zn  Zn3  1  0.093  0.368  0.818  1.0
  Zn  Zn4  1  0.405  0.019  0.968  1.0
  Zn  Zn5  1  0.905  0.981  0.032  1.0
  Zn  Zn6  1  0.905  0.481  0.468  1.0
  Zn  Zn7  1  0.405  0.519  0.532  1.0
  Br  Br8  1  0.125  0.081  0.380  1.0
  Br  Br9  1  0.625  0.919  0.620  1.0
  Br  Br10  1  0.625  0.419  0.880  1.0
  Br  Br11  1  0.125  0.581  0.120  1.0
  N  N12  1  0.125  0.568  0.627  1.0
  N  N13  1  0.625  0.432  0.373  1.0
  N  N14  1  0.625  0.932  0.127  1.0
  N  N15  1  0.125  0.068  0.873  1.0
[/CIF]
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