The structure described by MgNB9 crystallizes in the trigonal R-3m space group. Mg(1) is bonded in a distorted single-bond geometry to nine equivalent B(1) and one N(1) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Mg(1), one B(3), and four equivalent B(1) atoms. In the second B site, B(2) is bonded in a single-bond geometry to three equivalent B(3) and one N(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(3), and three equivalent B(2) atoms. N(1) is bonded in a tetrahedral geometry to one Mg(1) and three equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgB9N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   43.619
_cell_angle_beta   43.619
_cell_angle_gamma   43.619
_symmetry_Int_Tables_number   1
_cell_volume   173.359
_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  0.696  0.696  0.696  1.0
  Mg  Mg1  1  0.304  0.304  0.304  1.0
  B  B2  1  0.176  0.858  0.858  1.0
  B  B3  1  0.858  0.176  0.858  1.0
  B  B4  1  0.858  0.858  0.176  1.0
  B  B5  1  0.824  0.142  0.142  1.0
  B  B6  1  0.339  0.339  0.870  1.0
  B  B7  1  0.339  0.870  0.339  1.0
  B  B8  1  0.870  0.339  0.339  1.0
  B  B9  1  0.661  0.661  0.130  1.0
  B  B10  1  0.661  0.130  0.661  1.0
  B  B11  1  0.130  0.661  0.661  1.0
  B  B12  1  0.325  0.325  0.648  1.0
  B  B13  1  0.325  0.648  0.325  1.0
  B  B14  1  0.648  0.325  0.325  1.0
  B  B15  1  0.675  0.675  0.352  1.0
  B  B16  1  0.675  0.352  0.675  1.0
  B  B17  1  0.352  0.675  0.675  1.0
  B  B18  1  0.142  0.142  0.824  1.0
  B  B19  1  0.142  0.824  0.142  1.0
  N  N20  1  0.800  0.800  0.800  1.0
  N  N21  1  0.200  0.200  0.200  1.0
[/CIF]
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The structure described by MgNB9 crystallizes in the trigonal R-3m space group. Mg(1) is bonded in a distorted single-bond geometry to nine equivalent B(1) and one N(1) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Mg(1), one B(3), and four equivalent B(1) atoms. In the second B site, B(2) is bonded in a single-bond geometry to three equivalent B(3) and one N(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(3), and three equivalent B(2) atoms. N(1) is bonded in a tetrahedral geometry to one Mg(1) and three equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgB9N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   43.619
_cell_angle_beta   43.619
_cell_angle_gamma   43.619
_symmetry_Int_Tables_number   1
_cell_volume   173.359
_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  0.696  0.696  0.696  1.0
  Mg  Mg1  1  0.304  0.304  0.304  1.0
  B  B2  1  0.176  0.858  0.858  1.0
  B  B3  1  0.858  0.176  0.858  1.0
  B  B4  1  0.858  0.858  0.176  1.0
  B  B5  1  0.824  0.142  0.142  1.0
  B  B6  1  0.339  0.339  0.870  1.0
  B  B7  1  0.339  0.870  0.339  1.0
  B  B8  1  0.870  0.339  0.339  1.0
  B  B9  1  0.661  0.661  0.130  1.0
  B  B10  1  0.661  0.130  0.661  1.0
  B  B11  1  0.130  0.661  0.661  1.0
  B  B12  1  0.325  0.325  0.648  1.0
  B  B13  1  0.325  0.648  0.325  1.0
  B  B14  1  0.648  0.325  0.325  1.0
  B  B15  1  0.675  0.675  0.352  1.0
  B  B16  1  0.675  0.352  0.675  1.0
  B  B17  1  0.352  0.675  0.675  1.0
  B  B18  1  0.142  0.142  0.824  1.0
  B  B19  1  0.142  0.824  0.142  1.0
  N  N20  1  0.800  0.800  0.800  1.0
  N  N21  1  0.200  0.200  0.200  1.0
[/CIF]
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