The crystal structure described by LiBaMg6 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. Ba(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   6.568
_cell_length_c   7.335
_cell_angle_alpha   116.599
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.896
_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
  Ba  Ba0  1  0.500  0.701  0.401  1.0
  Li  Li1  1  1.000  0.869  0.738  1.0
  Mg  Mg2  1  1.000  0.810  0.121  1.0
  Mg  Mg3  1  1.000  0.311  0.121  1.0
  Mg  Mg4  1  1.000  0.306  0.612  1.0
  Mg  Mg5  1  0.500  0.673  0.868  1.0
  Mg  Mg6  1  0.500  0.196  0.868  1.0
  Mg  Mg7  1  0.500  0.135  0.270  1.0
[/CIF]
.
The crystal structure described by LiBaMg6 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. Ba(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   6.568
_cell_length_c   7.335
_cell_angle_alpha   116.599
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.896
_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
  Ba  Ba0  1  0.500  0.701  0.401  1.0
  Li  Li1  1  1.000  0.869  0.738  1.0
  Mg  Mg2  1  1.000  0.810  0.121  1.0
  Mg  Mg3  1  1.000  0.311  0.121  1.0
  Mg  Mg4  1  1.000  0.306  0.612  1.0
  Mg  Mg5  1  0.500  0.673  0.868  1.0
  Mg  Mg6  1  0.500  0.196  0.868  1.0
  Mg  Mg7  1  0.500  0.135  0.270  1.0
[/CIF]
.