The material structure described by Mg14ZnC crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(6), two equivalent Mg(7), and four equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a distorted q6 geometry to two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent Mg(7), one Zn(1), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a 9-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(6), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), one Zn(1), and one C(1) atom. In the sixth Mg site, Mg(6) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(5), and one Zn(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(5), one Zn(1), and one C(1) atom. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), two equivalent Mg(7), and four equivalent Mg(5) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and four equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14ZnC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.296
_cell_length_b   6.296
_cell_length_c   8.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.389
_symmetry_Int_Tables_number   1
_cell_volume   340.548
_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  0.873  0.127  0.000  1.0
  Mg  Mg1  1  0.337  0.663  0.000  1.0
  Mg  Mg2  1  0.362  0.078  0.500  1.0
  Mg  Mg3  1  0.388  0.185  0.000  1.0
  Mg  Mg4  1  0.922  0.638  0.500  1.0
  Mg  Mg5  1  0.815  0.612  0.000  1.0
  Mg  Mg6  1  0.201  0.423  0.318  1.0
  Mg  Mg7  1  0.201  0.423  0.682  1.0
  Mg  Mg8  1  0.577  0.799  0.318  1.0
  Mg  Mg9  1  0.577  0.799  0.682  1.0
  Mg  Mg10  1  0.681  0.319  0.273  1.0
  Mg  Mg11  1  0.681  0.319  0.727  1.0
  Mg  Mg12  1  0.102  0.898  0.239  1.0
  Mg  Mg13  1  0.102  0.898  0.761  1.0
  Zn  Zn14  1  0.894  0.106  0.500  1.0
  C  C15  1  0.287  0.713  0.500  1.0
[/CIF]
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The material structure described by Mg14ZnC crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(6), two equivalent Mg(7), and four equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a distorted q6 geometry to two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent Mg(7), one Zn(1), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a 9-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(6), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), one Zn(1), and one C(1) atom. In the sixth Mg site, Mg(6) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(5), and one Zn(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(5), one Zn(1), and one C(1) atom. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), two equivalent Mg(7), and four equivalent Mg(5) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and four equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14ZnC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.296
_cell_length_b   6.296
_cell_length_c   8.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.389
_symmetry_Int_Tables_number   1
_cell_volume   340.548
_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  0.873  0.127  0.000  1.0
  Mg  Mg1  1  0.337  0.663  0.000  1.0
  Mg  Mg2  1  0.362  0.078  0.500  1.0
  Mg  Mg3  1  0.388  0.185  0.000  1.0
  Mg  Mg4  1  0.922  0.638  0.500  1.0
  Mg  Mg5  1  0.815  0.612  0.000  1.0
  Mg  Mg6  1  0.201  0.423  0.318  1.0
  Mg  Mg7  1  0.201  0.423  0.682  1.0
  Mg  Mg8  1  0.577  0.799  0.318  1.0
  Mg  Mg9  1  0.577  0.799  0.682  1.0
  Mg  Mg10  1  0.681  0.319  0.273  1.0
  Mg  Mg11  1  0.681  0.319  0.727  1.0
  Mg  Mg12  1  0.102  0.898  0.239  1.0
  Mg  Mg13  1  0.102  0.898  0.761  1.0
  Zn  Zn14  1  0.894  0.106  0.500  1.0
  C  C15  1  0.287  0.713  0.500  1.0
[/CIF]
.