The structure described by Mg2BN2Br crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 5-coordinate geometry to three equivalent N(1) and two equivalent Br(1) atoms. B(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Mg(1) and one B(1) atom to form a mixture of corner and edge-sharing NMg3B tetrahedra. Br(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Mg2BBrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.690
_cell_length_c   6.566
_cell_angle_alpha   74.307
_cell_angle_beta   74.307
_cell_angle_gamma   72.008
_symmetry_Int_Tables_number   1
_cell_volume   190.576
_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
  Mg  Mg0  1  0.861  0.656  0.162  1.0
  Mg  Mg1  1  0.344  0.139  0.338  1.0
  Mg  Mg2  1  0.139  0.344  0.838  1.0
  Mg  Mg3  1  0.656  0.861  0.662  1.0
  B  B4  1  0.115  0.885  0.750  1.0
  B  B5  1  0.885  0.115  0.250  1.0
  Br  Br6  1  0.631  0.369  0.750  1.0
  Br  Br7  1  0.369  0.631  0.250  1.0
  N  N8  1  0.959  0.731  0.820  1.0
  N  N9  1  0.269  0.041  0.680  1.0
  N  N10  1  0.041  0.269  0.180  1.0
  N  N11  1  0.731  0.959  0.320  1.0
[/CIF]
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The structure described by Mg2BN2Br crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 5-coordinate geometry to three equivalent N(1) and two equivalent Br(1) atoms. B(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Mg(1) and one B(1) atom to form a mixture of corner and edge-sharing NMg3B tetrahedra. Br(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Mg2BBrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.690
_cell_length_c   6.566
_cell_angle_alpha   74.307
_cell_angle_beta   74.307
_cell_angle_gamma   72.008
_symmetry_Int_Tables_number   1
_cell_volume   190.576
_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
  Mg  Mg0  1  0.861  0.656  0.162  1.0
  Mg  Mg1  1  0.344  0.139  0.338  1.0
  Mg  Mg2  1  0.139  0.344  0.838  1.0
  Mg  Mg3  1  0.656  0.861  0.662  1.0
  B  B4  1  0.115  0.885  0.750  1.0
  B  B5  1  0.885  0.115  0.250  1.0
  Br  Br6  1  0.631  0.369  0.750  1.0
  Br  Br7  1  0.369  0.631  0.250  1.0
  N  N8  1  0.959  0.731  0.820  1.0
  N  N9  1  0.269  0.041  0.680  1.0
  N  N10  1  0.041  0.269  0.180  1.0
  N  N11  1  0.731  0.959  0.320  1.0
[/CIF]
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