The 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 6-coordinate geometry to one Si(1), one Si(2), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(3), three equivalent Si(1), and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), one Si(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), three equivalent Mg(2), three equivalent Mg(3), one Si(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(3), four equivalent Mg(1), one Si(1), and one Si(3) atom. is represented by the CIF card [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.609
_cell_length_c   7.672
_cell_angle_alpha   90.489
_cell_angle_beta   107.207
_cell_angle_gamma   100.051
_symmetry_Int_Tables_number   1
_cell_volume   224.759
_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  0.683  0.770  0.038  1.0
  Mg  Mg1  1  0.713  0.109  0.699  1.0
  Mg  Mg2  1  0.287  0.891  0.301  1.0
  Mg  Mg3  1  0.744  0.359  0.355  1.0
  Mg  Mg4  1  0.256  0.641  0.645  1.0
  Mg  Mg5  1  0.317  0.230  0.962  1.0
  Si  Si6  1  0.247  0.383  0.324  1.0
  Si  Si7  1  0.191  0.137  0.580  1.0
  Si  Si8  1  0.877  0.320  0.046  1.0
  Si  Si9  1  0.123  0.680  0.954  1.0
  Si  Si10  1  0.809  0.863  0.420  1.0
  Si  Si11  1  0.753  0.617  0.676  1.0
[/CIF]
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The 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 6-coordinate geometry to one Si(1), one Si(2), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(3), three equivalent Si(1), and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), one Si(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), three equivalent Mg(2), three equivalent Mg(3), one Si(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(3), four equivalent Mg(1), one Si(1), and one Si(3) atom. is represented by the CIF card [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.609
_cell_length_c   7.672
_cell_angle_alpha   90.489
_cell_angle_beta   107.207
_cell_angle_gamma   100.051
_symmetry_Int_Tables_number   1
_cell_volume   224.759
_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  0.683  0.770  0.038  1.0
  Mg  Mg1  1  0.713  0.109  0.699  1.0
  Mg  Mg2  1  0.287  0.891  0.301  1.0
  Mg  Mg3  1  0.744  0.359  0.355  1.0
  Mg  Mg4  1  0.256  0.641  0.645  1.0
  Mg  Mg5  1  0.317  0.230  0.962  1.0
  Si  Si6  1  0.247  0.383  0.324  1.0
  Si  Si7  1  0.191  0.137  0.580  1.0
  Si  Si8  1  0.877  0.320  0.046  1.0
  Si  Si9  1  0.123  0.680  0.954  1.0
  Si  Si10  1  0.809  0.863  0.420  1.0
  Si  Si11  1  0.753  0.617  0.676  1.0
[/CIF]
.