The material structure described by MgSi crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to two equivalent Mg(2), four equivalent Mg(3), one Si(1), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 13-coordinate geometry to two equivalent Mg(1), three equivalent Mg(3), one Si(3), three equivalent Si(2), and four equivalent Si(1) atoms. In the third Mg site, Mg(3) is bonded in a 14-coordinate geometry to three equivalent Mg(2), four equivalent Mg(1), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(3), four equivalent Mg(2), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Mg(3), three equivalent Mg(2), one Si(2), and three equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(3), four equivalent Mg(1), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.517
_cell_length_b   5.428
_cell_length_c   9.937
_cell_angle_alpha   93.622
_cell_angle_beta   102.574
_cell_angle_gamma   110.706
_symmetry_Int_Tables_number   1
_cell_volume   219.792
_cell_formula_units_Z   6
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  0.545  0.674  0.387  1.0
  Mg  Mg1  1  0.455  0.326  0.613  1.0
  Mg  Mg2  1  0.226  0.623  0.823  1.0
  Mg  Mg3  1  0.774  0.377  0.177  1.0
  Mg  Mg4  1  0.841  0.973  0.713  1.0
  Mg  Mg5  1  0.159  0.027  0.287  1.0
  Si  Si6  1  0.424  0.744  0.111  1.0
  Si  Si7  1  0.138  0.242  0.009  1.0
  Si  Si8  1  0.837  0.270  0.441  1.0
  Si  Si9  1  0.163  0.730  0.559  1.0
  Si  Si10  1  0.576  0.256  0.889  1.0
  Si  Si11  1  0.862  0.758  0.991  1.0
[/CIF]
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The material structure described by MgSi crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to two equivalent Mg(2), four equivalent Mg(3), one Si(1), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 13-coordinate geometry to two equivalent Mg(1), three equivalent Mg(3), one Si(3), three equivalent Si(2), and four equivalent Si(1) atoms. In the third Mg site, Mg(3) is bonded in a 14-coordinate geometry to three equivalent Mg(2), four equivalent Mg(1), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(3), four equivalent Mg(2), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Mg(3), three equivalent Mg(2), one Si(2), and three equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(3), four equivalent Mg(1), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.517
_cell_length_b   5.428
_cell_length_c   9.937
_cell_angle_alpha   93.622
_cell_angle_beta   102.574
_cell_angle_gamma   110.706
_symmetry_Int_Tables_number   1
_cell_volume   219.792
_cell_formula_units_Z   6
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  0.545  0.674  0.387  1.0
  Mg  Mg1  1  0.455  0.326  0.613  1.0
  Mg  Mg2  1  0.226  0.623  0.823  1.0
  Mg  Mg3  1  0.774  0.377  0.177  1.0
  Mg  Mg4  1  0.841  0.973  0.713  1.0
  Mg  Mg5  1  0.159  0.027  0.287  1.0
  Si  Si6  1  0.424  0.744  0.111  1.0
  Si  Si7  1  0.138  0.242  0.009  1.0
  Si  Si8  1  0.837  0.270  0.441  1.0
  Si  Si9  1  0.163  0.730  0.559  1.0
  Si  Si10  1  0.576  0.256  0.889  1.0
  Si  Si11  1  0.862  0.758  0.991  1.0
[/CIF]
.