The crystal structure described by Mg6BSb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), two equivalent B(1), and one Sb(1) atom. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(2) and two equivalent Sb(1) atoms. B(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1) and four equivalent Mg(3) atoms. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg6BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   5.951
_cell_length_c   7.164
_cell_angle_alpha   114.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.727
_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
  B  B0  1  0.000  0.920  0.839  1.0
  Mg  Mg1  1  0.000  0.310  0.127  1.0
  Mg  Mg2  1  0.000  0.817  0.127  1.0
  Mg  Mg3  1  0.000  0.323  0.646  1.0
  Mg  Mg4  1  0.500  0.121  0.794  1.0
  Mg  Mg5  1  0.500  0.673  0.794  1.0
  Mg  Mg6  1  0.500  0.178  0.356  1.0
  Sb  Sb7  1  0.500  0.658  0.316  1.0
[/CIF]
.
The crystal structure described by Mg6BSb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), two equivalent B(1), and one Sb(1) atom. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(2) and two equivalent Sb(1) atoms. B(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1) and four equivalent Mg(3) atoms. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg6BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   5.951
_cell_length_c   7.164
_cell_angle_alpha   114.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.727
_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
  B  B0  1  0.000  0.920  0.839  1.0
  Mg  Mg1  1  0.000  0.310  0.127  1.0
  Mg  Mg2  1  0.000  0.817  0.127  1.0
  Mg  Mg3  1  0.000  0.323  0.646  1.0
  Mg  Mg4  1  0.500  0.121  0.794  1.0
  Mg  Mg5  1  0.500  0.673  0.794  1.0
  Mg  Mg6  1  0.500  0.178  0.356  1.0
  Sb  Sb7  1  0.500  0.658  0.316  1.0
[/CIF]
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