The compound described by Mg6CrC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Cr(1), and one C(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Cr(1), and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms to form a mixture of distorted face and corner-sharing MgMg10Cr2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent C(1) atoms. Cr(1) is bonded in a distorted q6 geometry to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. C(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_Mg6CrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.078
_cell_length_c   4.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.951
_symmetry_Int_Tables_number   1
_cell_volume   149.686
_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  0.664  0.836  0.000  1.0
  Mg  Mg1  1  0.164  0.336  0.000  1.0
  Mg  Mg2  1  0.849  0.670  0.500  1.0
  Mg  Mg3  1  0.330  0.151  0.500  1.0
  Mg  Mg4  1  0.829  0.171  0.500  1.0
  Mg  Mg5  1  0.323  0.677  0.500  1.0
  Cr  Cr6  1  0.666  0.334  0.000  1.0
  C  C7  1  0.174  0.826  0.000  1.0
[/CIF]
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The compound described by Mg6CrC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Cr(1), and one C(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Cr(1), and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms to form a mixture of distorted face and corner-sharing MgMg10Cr2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent C(1) atoms. Cr(1) is bonded in a distorted q6 geometry to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. C(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_Mg6CrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.078
_cell_length_c   4.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.951
_symmetry_Int_Tables_number   1
_cell_volume   149.686
_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  0.664  0.836  0.000  1.0
  Mg  Mg1  1  0.164  0.336  0.000  1.0
  Mg  Mg2  1  0.849  0.670  0.500  1.0
  Mg  Mg3  1  0.330  0.151  0.500  1.0
  Mg  Mg4  1  0.829  0.171  0.500  1.0
  Mg  Mg5  1  0.323  0.677  0.500  1.0
  Cr  Cr6  1  0.666  0.334  0.000  1.0
  C  C7  1  0.174  0.826  0.000  1.0
[/CIF]
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