The material structure described by Mg14TiC crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent Ti(1), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of distorted edge, face, and corner-sharing MgMg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), one Ti(1), and one C(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Ti(1) atom. In the seventh Mg site, Mg(7) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(5) atoms. is represented by the CIF file [CIF]
data_Mg14TiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.508
_cell_length_b   5.983
_cell_length_c   9.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.364
_symmetry_Int_Tables_number   1
_cell_volume   337.568
_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  0.165  0.332  0.625  1.0
  Mg  Mg1  1  0.152  0.826  0.625  1.0
  Mg  Mg2  1  0.615  0.291  0.125  1.0
  Mg  Mg3  1  0.654  0.331  0.625  1.0
  Mg  Mg4  1  0.615  0.824  0.125  1.0
  Mg  Mg5  1  0.654  0.823  0.625  1.0
  Mg  Mg6  1  0.327  0.159  0.359  1.0
  Mg  Mg7  1  0.327  0.159  0.891  1.0
  Mg  Mg8  1  0.327  0.667  0.359  1.0
  Mg  Mg9  1  0.327  0.667  0.891  1.0
  Mg  Mg10  1  0.837  0.168  0.375  1.0
  Mg  Mg11  1  0.837  0.168  0.875  1.0
  Mg  Mg12  1  0.876  0.688  0.331  1.0
  Mg  Mg13  1  0.876  0.688  0.919  1.0
  Ti  Ti14  1  0.118  0.309  0.125  1.0
  C  C15  1  0.297  0.899  0.125  1.0
[/CIF]
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The material structure described by Mg14TiC crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent Ti(1), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of distorted edge, face, and corner-sharing MgMg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), one Ti(1), and one C(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Ti(1) atom. In the seventh Mg site, Mg(7) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(5) atoms. is represented by the CIF file [CIF]
data_Mg14TiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.508
_cell_length_b   5.983
_cell_length_c   9.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.364
_symmetry_Int_Tables_number   1
_cell_volume   337.568
_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  0.165  0.332  0.625  1.0
  Mg  Mg1  1  0.152  0.826  0.625  1.0
  Mg  Mg2  1  0.615  0.291  0.125  1.0
  Mg  Mg3  1  0.654  0.331  0.625  1.0
  Mg  Mg4  1  0.615  0.824  0.125  1.0
  Mg  Mg5  1  0.654  0.823  0.625  1.0
  Mg  Mg6  1  0.327  0.159  0.359  1.0
  Mg  Mg7  1  0.327  0.159  0.891  1.0
  Mg  Mg8  1  0.327  0.667  0.359  1.0
  Mg  Mg9  1  0.327  0.667  0.891  1.0
  Mg  Mg10  1  0.837  0.168  0.375  1.0
  Mg  Mg11  1  0.837  0.168  0.875  1.0
  Mg  Mg12  1  0.876  0.688  0.331  1.0
  Mg  Mg13  1  0.876  0.688  0.919  1.0
  Ti  Ti14  1  0.118  0.309  0.125  1.0
  C  C15  1  0.297  0.899  0.125  1.0
[/CIF]
.