The material described by LiMg6C crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a distorted water-like geometry to two equivalent Mg(4) and two equivalent C(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Mg(2) and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(2) and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mg(2) atoms. C(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_LiMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.611
_cell_length_b   6.611
_cell_length_c   3.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.567
_symmetry_Int_Tables_number   1
_cell_volume   153.389
_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
  Li  Li0  1  0.855  0.145  0.000  1.0
  Mg  Mg1  1  0.788  0.538  0.000  1.0
  Mg  Mg2  1  0.462  0.212  0.000  1.0
  Mg  Mg3  1  0.343  0.657  0.000  1.0
  Mg  Mg4  1  0.632  0.917  0.500  1.0
  Mg  Mg5  1  0.083  0.368  0.500  1.0
  Mg  Mg6  1  0.109  0.891  0.500  1.0
  C  C7  1  0.728  0.272  0.500  1.0
[/CIF]
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The material described by LiMg6C crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a distorted water-like geometry to two equivalent Mg(4) and two equivalent C(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Mg(2) and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(2) and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mg(2) atoms. C(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_LiMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.611
_cell_length_b   6.611
_cell_length_c   3.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.567
_symmetry_Int_Tables_number   1
_cell_volume   153.389
_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
  Li  Li0  1  0.855  0.145  0.000  1.0
  Mg  Mg1  1  0.788  0.538  0.000  1.0
  Mg  Mg2  1  0.462  0.212  0.000  1.0
  Mg  Mg3  1  0.343  0.657  0.000  1.0
  Mg  Mg4  1  0.632  0.917  0.500  1.0
  Mg  Mg5  1  0.083  0.368  0.500  1.0
  Mg  Mg6  1  0.109  0.891  0.500  1.0
  C  C7  1  0.728  0.272  0.500  1.0
[/CIF]
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