The crystal structure described by Mg6MoC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(2) and one Mo(1) atom. In the second Mg site, Mg(2) is bonded in a distorted q6 geometry to two equivalent Mg(1), two equivalent Mg(2), 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 single-bond geometry to two equivalent Mg(2) and one C(1) atom. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and two equivalent C(1) atoms. C(1) is bonded to one Mg(4), two equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted corner-sharing CMg3Mo2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6MoC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.160
_cell_length_b   7.331
_cell_length_c   7.331
_cell_angle_alpha   94.724
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.252
_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
  C  C0  1  0.500  0.108  0.892  1.0
  Mg  Mg1  1  1.000  0.217  0.400  1.0
  Mg  Mg2  1  0.000  0.600  0.783  1.0
  Mg  Mg3  1  0.000  0.641  0.359  1.0
  Mg  Mg4  1  0.500  0.390  0.079  1.0
  Mg  Mg5  1  0.500  0.921  0.610  1.0
  Mg  Mg6  1  0.500  0.906  0.094  1.0
  Mo  Mo7  1  0.000  0.216  0.784  1.0
[/CIF]
.
The crystal structure described by Mg6MoC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(2) and one Mo(1) atom. In the second Mg site, Mg(2) is bonded in a distorted q6 geometry to two equivalent Mg(1), two equivalent Mg(2), 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 single-bond geometry to two equivalent Mg(2) and one C(1) atom. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and two equivalent C(1) atoms. C(1) is bonded to one Mg(4), two equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted corner-sharing CMg3Mo2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6MoC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.160
_cell_length_b   7.331
_cell_length_c   7.331
_cell_angle_alpha   94.724
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.252
_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
  C  C0  1  0.500  0.108  0.892  1.0
  Mg  Mg1  1  1.000  0.217  0.400  1.0
  Mg  Mg2  1  0.000  0.600  0.783  1.0
  Mg  Mg3  1  0.000  0.641  0.359  1.0
  Mg  Mg4  1  0.500  0.390  0.079  1.0
  Mg  Mg5  1  0.500  0.921  0.610  1.0
  Mg  Mg6  1  0.500  0.906  0.094  1.0
  Mo  Mo7  1  0.000  0.216  0.784  1.0
[/CIF]
.