The crystal structure described by Mg14BBi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(7), one B(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(7), and one Bi(1) atom. In the sixth Mg site, Mg(6) is bonded in a single-bond geometry to one Mg(1), two equivalent Mg(4), two equivalent Mg(7), and one B(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Bi(1) atom. B(1) is bonded in a 4-coordinate geometry to two equivalent Mg(3) and two equivalent Mg(6) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_Mg14BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.388
_cell_length_b   6.558
_cell_length_c   9.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.881
_symmetry_Int_Tables_number   1
_cell_volume   358.918
_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
  Mg  Mg0  1  0.174  0.337  0.625  1.0
  Mg  Mg1  1  0.177  0.838  0.625  1.0
  Mg  Mg2  1  0.705  0.348  0.125  1.0
  Mg  Mg3  1  0.668  0.328  0.625  1.0
  Mg  Mg4  1  0.705  0.857  0.125  1.0
  Mg  Mg5  1  0.668  0.840  0.625  1.0
  Mg  Mg6  1  0.327  0.182  0.359  1.0
  Mg  Mg7  1  0.327  0.182  0.891  1.0
  Mg  Mg8  1  0.327  0.645  0.359  1.0
  Mg  Mg9  1  0.327  0.645  0.891  1.0
  Mg  Mg10  1  0.847  0.173  0.364  1.0
  Mg  Mg11  1  0.847  0.173  0.886  1.0
  Mg  Mg12  1  0.830  0.665  0.382  1.0
  Mg  Mg13  1  0.830  0.665  0.868  1.0
  Bi  Bi14  1  0.173  0.836  0.125  1.0
  B  B15  1  0.069  0.285  0.125  1.0
[/CIF]
.
The crystal structure described by Mg14BBi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(7), one B(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(7), and one Bi(1) atom. In the sixth Mg site, Mg(6) is bonded in a single-bond geometry to one Mg(1), two equivalent Mg(4), two equivalent Mg(7), and one B(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Bi(1) atom. B(1) is bonded in a 4-coordinate geometry to two equivalent Mg(3) and two equivalent Mg(6) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_Mg14BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.388
_cell_length_b   6.558
_cell_length_c   9.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.881
_symmetry_Int_Tables_number   1
_cell_volume   358.918
_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
  Mg  Mg0  1  0.174  0.337  0.625  1.0
  Mg  Mg1  1  0.177  0.838  0.625  1.0
  Mg  Mg2  1  0.705  0.348  0.125  1.0
  Mg  Mg3  1  0.668  0.328  0.625  1.0
  Mg  Mg4  1  0.705  0.857  0.125  1.0
  Mg  Mg5  1  0.668  0.840  0.625  1.0
  Mg  Mg6  1  0.327  0.182  0.359  1.0
  Mg  Mg7  1  0.327  0.182  0.891  1.0
  Mg  Mg8  1  0.327  0.645  0.359  1.0
  Mg  Mg9  1  0.327  0.645  0.891  1.0
  Mg  Mg10  1  0.847  0.173  0.364  1.0
  Mg  Mg11  1  0.847  0.173  0.886  1.0
  Mg  Mg12  1  0.830  0.665  0.382  1.0
  Mg  Mg13  1  0.830  0.665  0.868  1.0
  Bi  Bi14  1  0.173  0.836  0.125  1.0
  B  B15  1  0.069  0.285  0.125  1.0
[/CIF]
.