The crystal structure described by MgSi is Magnesium tetraboride-like structured and 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 6-coordinate geometry to one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to two equivalent Si(3) and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to three equivalent Mg(1), four equivalent Mg(3), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Mg(3), two equivalent Mg(1), three equivalent Mg(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(2), one Si(3), and two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.131
_cell_length_b   6.131
_cell_length_c   11.066
_cell_angle_alpha   75.416
_cell_angle_beta   75.416
_cell_angle_gamma   35.485
_symmetry_Int_Tables_number   1
_cell_volume   232.844
_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  0.299  0.299  0.859  1.0
  Mg  Mg1  1  0.850  0.850  0.410  1.0
  Mg  Mg2  1  0.427  0.427  0.166  1.0
  Mg  Mg3  1  0.701  0.701  0.141  1.0
  Mg  Mg4  1  0.150  0.150  0.590  1.0
  Mg  Mg5  1  0.573  0.573  0.834  1.0
  Si  Si6  1  0.911  0.911  0.974  1.0
  Si  Si7  1  0.189  0.189  0.338  1.0
  Si  Si8  1  0.811  0.811  0.662  1.0
  Si  Si9  1  0.452  0.452  0.614  1.0
  Si  Si10  1  0.089  0.089  0.026  1.0
  Si  Si11  1  0.548  0.548  0.386  1.0
[/CIF]
.
The crystal structure described by MgSi is Magnesium tetraboride-like structured and 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 6-coordinate geometry to one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to two equivalent Si(3) and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to three equivalent Mg(1), four equivalent Mg(3), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Mg(3), two equivalent Mg(1), three equivalent Mg(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(2), one Si(3), and two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.131
_cell_length_b   6.131
_cell_length_c   11.066
_cell_angle_alpha   75.416
_cell_angle_beta   75.416
_cell_angle_gamma   35.485
_symmetry_Int_Tables_number   1
_cell_volume   232.844
_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  0.299  0.299  0.859  1.0
  Mg  Mg1  1  0.850  0.850  0.410  1.0
  Mg  Mg2  1  0.427  0.427  0.166  1.0
  Mg  Mg3  1  0.701  0.701  0.141  1.0
  Mg  Mg4  1  0.150  0.150  0.590  1.0
  Mg  Mg5  1  0.573  0.573  0.834  1.0
  Si  Si6  1  0.911  0.911  0.974  1.0
  Si  Si7  1  0.189  0.189  0.338  1.0
  Si  Si8  1  0.811  0.811  0.662  1.0
  Si  Si9  1  0.452  0.452  0.614  1.0
  Si  Si10  1  0.089  0.089  0.026  1.0
  Si  Si11  1  0.548  0.548  0.386  1.0
[/CIF]
.