The compound described by MgSi crystallizes in the monoclinic C2/m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to one Mg(1), one Mg(2), two equivalent Mg(3), one Si(2), four equivalent Si(1), and five equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 13-coordinate geometry to one Mg(1), one Mg(2), four equivalent Mg(3), one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), four equivalent Mg(2), one Si(1), one Si(3), and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(2), four equivalent Mg(1), one Si(2), and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent Mg(3), four equivalent Mg(2), one Si(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(3), five equivalent Mg(1), one Si(3), and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   9.693
_cell_angle_alpha   74.279
_cell_angle_beta   74.279
_cell_angle_gamma   49.440
_symmetry_Int_Tables_number   1
_cell_volume   211.832
_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  0.375  0.375  0.125  1.0
  Mg  Mg1  1  0.884  0.884  0.637  1.0
  Mg  Mg2  1  0.820  0.820  0.345  1.0
  Mg  Mg3  1  0.116  0.116  0.363  1.0
  Mg  Mg4  1  0.180  0.180  0.655  1.0
  Mg  Mg5  1  0.625  0.625  0.875  1.0
  Si  Si6  1  0.668  0.668  0.153  1.0
  Si  Si7  1  0.567  0.567  0.592  1.0
  Si  Si8  1  0.332  0.332  0.847  1.0
  Si  Si9  1  0.909  0.909  0.930  1.0
  Si  Si10  1  0.091  0.091  0.070  1.0
  Si  Si11  1  0.433  0.433  0.408  1.0
[/CIF]
.
The compound described by MgSi crystallizes in the monoclinic C2/m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to one Mg(1), one Mg(2), two equivalent Mg(3), one Si(2), four equivalent Si(1), and five equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 13-coordinate geometry to one Mg(1), one Mg(2), four equivalent Mg(3), one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), four equivalent Mg(2), one Si(1), one Si(3), and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(2), four equivalent Mg(1), one Si(2), and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent Mg(3), four equivalent Mg(2), one Si(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(3), five equivalent Mg(1), one Si(3), and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   9.693
_cell_angle_alpha   74.279
_cell_angle_beta   74.279
_cell_angle_gamma   49.440
_symmetry_Int_Tables_number   1
_cell_volume   211.832
_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  0.375  0.375  0.125  1.0
  Mg  Mg1  1  0.884  0.884  0.637  1.0
  Mg  Mg2  1  0.820  0.820  0.345  1.0
  Mg  Mg3  1  0.116  0.116  0.363  1.0
  Mg  Mg4  1  0.180  0.180  0.655  1.0
  Mg  Mg5  1  0.625  0.625  0.875  1.0
  Si  Si6  1  0.668  0.668  0.153  1.0
  Si  Si7  1  0.567  0.567  0.592  1.0
  Si  Si8  1  0.332  0.332  0.847  1.0
  Si  Si9  1  0.909  0.909  0.930  1.0
  Si  Si10  1  0.091  0.091  0.070  1.0
  Si  Si11  1  0.433  0.433  0.408  1.0
[/CIF]
.