The material described by Mg6GaB 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 two equivalent Ga(1) and one B(1) atom. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent Ga(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and two equivalent B(1) atoms. In the fourth Mg site, Mg(4) is bonded in a water-like geometry to two equivalent B(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.254
_cell_length_b   6.254
_cell_length_c   4.045
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.004
_symmetry_Int_Tables_number   1
_cell_volume   155.802
_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  0.841  0.615  0.000  1.0
  Mg  Mg1  1  0.385  0.159  0.000  1.0
  Mg  Mg2  1  0.358  0.642  0.000  1.0
  Mg  Mg3  1  0.688  0.950  0.500  1.0
  Mg  Mg4  1  0.050  0.312  0.500  1.0
  Mg  Mg5  1  0.131  0.869  0.500  1.0
  Ga  Ga6  1  0.564  0.436  0.500  1.0
  B  B7  1  0.984  0.016  0.000  1.0
[/CIF]
.
The material described by Mg6GaB 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 two equivalent Ga(1) and one B(1) atom. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent Ga(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and two equivalent B(1) atoms. In the fourth Mg site, Mg(4) is bonded in a water-like geometry to two equivalent B(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.254
_cell_length_b   6.254
_cell_length_c   4.045
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.004
_symmetry_Int_Tables_number   1
_cell_volume   155.802
_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  0.841  0.615  0.000  1.0
  Mg  Mg1  1  0.385  0.159  0.000  1.0
  Mg  Mg2  1  0.358  0.642  0.000  1.0
  Mg  Mg3  1  0.688  0.950  0.500  1.0
  Mg  Mg4  1  0.050  0.312  0.500  1.0
  Mg  Mg5  1  0.131  0.869  0.500  1.0
  Ga  Ga6  1  0.564  0.436  0.500  1.0
  B  B7  1  0.984  0.016  0.000  1.0
[/CIF]
.