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 1-coordinate geometry to two equivalent Mg(2), two equivalent Ga(1), and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ga(1), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to four equivalent Mg(2) and two equivalent B(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to four equivalent Mg(2) and two equivalent Ga(1) atoms. Ga(1) is bonded in a distorted q6 geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.064
_cell_length_c   4.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.738
_symmetry_Int_Tables_number   1
_cell_volume   154.628
_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  0.358  0.152  0.500  1.0
  Mg  Mg1  1  0.848  0.642  0.500  1.0
  Mg  Mg2  1  0.134  0.324  0.000  1.0
  Mg  Mg3  1  0.676  0.866  0.000  1.0
  Mg  Mg4  1  0.666  0.334  0.000  1.0
  Mg  Mg5  1  0.171  0.829  0.000  1.0
  Ga  Ga6  1  0.346  0.654  0.500  1.0
  B  B7  1  0.801  0.199  0.500  1.0
[/CIF]
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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 1-coordinate geometry to two equivalent Mg(2), two equivalent Ga(1), and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ga(1), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to four equivalent Mg(2) and two equivalent B(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to four equivalent Mg(2) and two equivalent Ga(1) atoms. Ga(1) is bonded in a distorted q6 geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.064
_cell_length_c   4.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.738
_symmetry_Int_Tables_number   1
_cell_volume   154.628
_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  0.358  0.152  0.500  1.0
  Mg  Mg1  1  0.848  0.642  0.500  1.0
  Mg  Mg2  1  0.134  0.324  0.000  1.0
  Mg  Mg3  1  0.676  0.866  0.000  1.0
  Mg  Mg4  1  0.666  0.334  0.000  1.0
  Mg  Mg5  1  0.171  0.829  0.000  1.0
  Ga  Ga6  1  0.346  0.654  0.500  1.0
  B  B7  1  0.801  0.199  0.500  1.0
[/CIF]
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