The material described by Mg6BiC crystallizes in the orthorhombic Amm2 space group. The structure consists of two 02329_fluka atoms inside a Mg6Bi framework. In the Mg6Bi framework, there are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and two equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1) and two equivalent Bi(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6BiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.908
_cell_length_b   6.259
_cell_length_c   6.340
_cell_angle_alpha   119.582
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.390
_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
  Bi  Bi0  1  0.500  0.667  0.334  1.0
  C  C1  1  0.500  0.168  0.336  1.0
  Mg  Mg2  1  0.500  0.664  0.831  1.0
  Mg  Mg3  1  0.500  0.167  0.831  1.0
  Mg  Mg4  1  0.000  0.857  0.171  1.0
  Mg  Mg5  1  1.000  0.315  0.171  1.0
  Mg  Mg6  1  0.000  0.324  0.648  1.0
  Mg  Mg7  1  0.000  0.839  0.677  1.0
[/CIF]
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The material described by Mg6BiC crystallizes in the orthorhombic Amm2 space group. The structure consists of two 02329_fluka atoms inside a Mg6Bi framework. In the Mg6Bi framework, there are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and two equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1) and two equivalent Bi(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg6BiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.908
_cell_length_b   6.259
_cell_length_c   6.340
_cell_angle_alpha   119.582
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.390
_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
  Bi  Bi0  1  0.500  0.667  0.334  1.0
  C  C1  1  0.500  0.168  0.336  1.0
  Mg  Mg2  1  0.500  0.664  0.831  1.0
  Mg  Mg3  1  0.500  0.167  0.831  1.0
  Mg  Mg4  1  0.000  0.857  0.171  1.0
  Mg  Mg5  1  1.000  0.315  0.171  1.0
  Mg  Mg6  1  0.000  0.324  0.648  1.0
  Mg  Mg7  1  0.000  0.839  0.677  1.0
[/CIF]
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