The crystal structure described by MgSi is Magnesium tetraboride-like structured and 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 one Si(2) and four equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(2), two equivalent Mg(3), four equivalent Mg(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(3), four 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   4.751
_cell_length_b   5.287
_cell_length_c   10.060
_cell_angle_alpha   94.349
_cell_angle_beta   103.064
_cell_angle_gamma   106.772
_symmetry_Int_Tables_number   1
_cell_volume   232.972
_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  0.708  0.323  0.565  1.0
  Mg  Mg1  1  0.174  0.228  0.859  1.0
  Mg  Mg2  1  0.509  0.146  0.248  1.0
  Mg  Mg3  1  0.292  0.677  0.435  1.0
  Mg  Mg4  1  0.826  0.772  0.141  1.0
  Mg  Mg5  1  0.491  0.854  0.752  1.0
  Si  Si6  1  0.073  0.127  0.409  1.0
  Si  Si7  1  0.266  0.542  0.163  1.0
  Si  Si8  1  0.227  0.774  0.966  1.0
  Si  Si9  1  0.734  0.458  0.837  1.0
  Si  Si10  1  0.927  0.873  0.591  1.0
  Si  Si11  1  0.773  0.226  0.034  1.0
[/CIF]
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The crystal structure described by MgSi is Magnesium tetraboride-like structured and 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 one Si(2) and four equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(2), two equivalent Mg(3), four equivalent Mg(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(3), four 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   4.751
_cell_length_b   5.287
_cell_length_c   10.060
_cell_angle_alpha   94.349
_cell_angle_beta   103.064
_cell_angle_gamma   106.772
_symmetry_Int_Tables_number   1
_cell_volume   232.972
_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  0.708  0.323  0.565  1.0
  Mg  Mg1  1  0.174  0.228  0.859  1.0
  Mg  Mg2  1  0.509  0.146  0.248  1.0
  Mg  Mg3  1  0.292  0.677  0.435  1.0
  Mg  Mg4  1  0.826  0.772  0.141  1.0
  Mg  Mg5  1  0.491  0.854  0.752  1.0
  Si  Si6  1  0.073  0.127  0.409  1.0
  Si  Si7  1  0.266  0.542  0.163  1.0
  Si  Si8  1  0.227  0.774  0.966  1.0
  Si  Si9  1  0.734  0.458  0.837  1.0
  Si  Si10  1  0.927  0.873  0.591  1.0
  Si  Si11  1  0.773  0.226  0.034  1.0
[/CIF]
.