The material structure described by Mg6SiSb 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 two equivalent Mg(3), one Si(1), and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Mg(3) and two equivalent Si(1) atoms. In the third Mg site, Mg(3) 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 Si(1), and two equivalent Sb(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to four equivalent Mg(3) and two equivalent Sb(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. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.972
_cell_length_c   6.495
_cell_angle_alpha   117.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.292
_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  0.000  0.332  0.169  1.0
  Mg  Mg1  1  0.000  0.837  0.169  1.0
  Mg  Mg2  1  0.000  0.328  0.656  1.0
  Mg  Mg3  1  0.500  0.147  0.809  1.0
  Mg  Mg4  1  0.500  0.662  0.809  1.0
  Mg  Mg5  1  0.500  0.172  0.344  1.0
  Sb  Sb6  1  0.500  0.643  0.287  1.0
  Si  Si7  1  0.000  0.878  0.756  1.0
[/CIF]
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The material structure described by Mg6SiSb 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 two equivalent Mg(3), one Si(1), and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Mg(3) and two equivalent Si(1) atoms. In the third Mg site, Mg(3) 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 Si(1), and two equivalent Sb(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to four equivalent Mg(3) and two equivalent Sb(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. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.972
_cell_length_c   6.495
_cell_angle_alpha   117.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.292
_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  0.000  0.332  0.169  1.0
  Mg  Mg1  1  0.000  0.837  0.169  1.0
  Mg  Mg2  1  0.000  0.328  0.656  1.0
  Mg  Mg3  1  0.500  0.147  0.809  1.0
  Mg  Mg4  1  0.500  0.662  0.809  1.0
  Mg  Mg5  1  0.500  0.172  0.344  1.0
  Sb  Sb6  1  0.500  0.643  0.287  1.0
  Si  Si7  1  0.000  0.878  0.756  1.0
[/CIF]
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