The material described by BaMg6C crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a water-like geometry to one Ba(1), one Mg(2), two equivalent Mg(4), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms to form a mixture of distorted face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Ba(1), one Mg(4), two equivalent Mg(2), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms to form a mixture of face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_BaMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.467
_cell_length_b   8.054
_cell_length_c   8.054
_cell_angle_alpha   119.252
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.177
_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  0.000  0.152  0.848  1.0
  C  C1  1  0.500  0.398  0.602  1.0
  Mg  Mg2  1  1.000  0.201  0.456  1.0
  Mg  Mg3  1  0.000  0.544  0.799  1.0
  Mg  Mg4  1  0.000  0.715  0.285  1.0
  Mg  Mg5  1  0.500  0.367  0.292  1.0
  Mg  Mg6  1  0.500  0.708  0.633  1.0
  Mg  Mg7  1  0.500  0.915  0.085  1.0
[/CIF]
.
The material described by BaMg6C crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a water-like geometry to one Ba(1), one Mg(2), two equivalent Mg(4), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms to form a mixture of distorted face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Ba(1), one Mg(4), two equivalent Mg(2), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms to form a mixture of face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_BaMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.467
_cell_length_b   8.054
_cell_length_c   8.054
_cell_angle_alpha   119.252
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.177
_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  0.000  0.152  0.848  1.0
  C  C1  1  0.500  0.398  0.602  1.0
  Mg  Mg2  1  1.000  0.201  0.456  1.0
  Mg  Mg3  1  0.000  0.544  0.799  1.0
  Mg  Mg4  1  0.000  0.715  0.285  1.0
  Mg  Mg5  1  0.500  0.367  0.292  1.0
  Mg  Mg6  1  0.500  0.708  0.633  1.0
  Mg  Mg7  1  0.500  0.915  0.085  1.0
[/CIF]
.