The material described by Mg6SiBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Si(1) and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Si(1) and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Bi(1) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_Mg6SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.108
_cell_length_b   6.095
_cell_length_c   6.663
_cell_angle_alpha   117.220
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.472
_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  0.652  0.305  1.0
  Mg  Mg1  1  1.000  0.835  0.157  1.0
  Mg  Mg2  1  0.000  0.322  0.157  1.0
  Mg  Mg3  1  0.000  0.325  0.651  1.0
  Mg  Mg4  1  0.500  0.664  0.813  1.0
  Mg  Mg5  1  0.500  0.149  0.813  1.0
  Mg  Mg6  1  0.500  0.173  0.347  1.0
  Si  Si7  1  0.000  0.878  0.757  1.0
[/CIF]
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The material described by Mg6SiBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Si(1) and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Si(1) and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Bi(1) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_Mg6SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.108
_cell_length_b   6.095
_cell_length_c   6.663
_cell_angle_alpha   117.220
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.472
_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  0.652  0.305  1.0
  Mg  Mg1  1  1.000  0.835  0.157  1.0
  Mg  Mg2  1  0.000  0.322  0.157  1.0
  Mg  Mg3  1  0.000  0.325  0.651  1.0
  Mg  Mg4  1  0.500  0.664  0.813  1.0
  Mg  Mg5  1  0.500  0.149  0.813  1.0
  Mg  Mg6  1  0.500  0.173  0.347  1.0
  Si  Si7  1  0.000  0.878  0.757  1.0
[/CIF]
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