The crystal structure described by MgSi is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one Si(6), and two equivalent Si(4) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(4), two equivalent Si(2), and three equivalent Si(5) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(4), two equivalent Si(3), and three equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms. In the fifth Mg site, Mg(5) is bonded in a 6-coordinate geometry to one Si(1), one Si(4), one Si(5), and three equivalent Si(2) atoms. In the sixth Mg site, Mg(6) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(6), and three equivalent Si(3) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(2), one Mg(5), one Mg(6), two equivalent Mg(4), one Si(3), and one Si(4) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(4), two equivalent Mg(2), three equivalent Mg(5), and two equivalent Si(5) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(4), two equivalent Mg(3), three equivalent Mg(6), one Si(1), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(3), one Mg(4), one Mg(5), two equivalent Mg(1), one Si(1), and one Si(6) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(4), one Mg(5), three equivalent Mg(2), and two equivalent Si(2) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(6), three equivalent Mg(3), one Si(3), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   6.229
_cell_length_c   14.286
_cell_angle_alpha   100.815
_cell_angle_beta   88.555
_cell_angle_gamma   103.496
_symmetry_Int_Tables_number   1
_cell_volume   453.033
_cell_formula_units_Z   12
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  0.127  0.601  0.264  1.0
  Mg  Mg1  1  0.366  0.693  0.580  1.0
  Mg  Mg2  1  0.711  0.669  0.944  1.0
  Mg  Mg3  1  0.070  0.099  0.269  1.0
  Mg  Mg4  1  0.349  0.216  0.619  1.0
  Mg  Mg5  1  0.766  0.172  0.923  1.0
  Mg  Mg6  1  0.634  0.307  0.420  1.0
  Mg  Mg7  1  0.930  0.901  0.731  1.0
  Mg  Mg8  1  0.234  0.828  0.077  1.0
  Mg  Mg9  1  0.651  0.784  0.381  1.0
  Mg  Mg10  1  0.873  0.399  0.736  1.0
  Mg  Mg11  1  0.289  0.331  0.056  1.0
  Si  Si12  1  0.544  0.996  0.236  1.0
  Si  Si13  1  0.818  0.107  0.566  1.0
  Si  Si14  1  0.193  0.968  0.904  1.0
  Si  Si15  1  0.551  0.402  0.238  1.0
  Si  Si16  1  0.875  0.711  0.543  1.0
  Si  Si17  1  0.185  0.545  0.901  1.0
  Si  Si18  1  0.125  0.289  0.457  1.0
  Si  Si19  1  0.456  0.004  0.764  1.0
  Si  Si20  1  0.815  0.455  0.099  1.0
  Si  Si21  1  0.182  0.893  0.434  1.0
  Si  Si22  1  0.449  0.598  0.762  1.0
  Si  Si23  1  0.807  0.032  0.096  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 six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one Si(6), and two equivalent Si(4) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(4), two equivalent Si(2), and three equivalent Si(5) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(4), two equivalent Si(3), and three equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms. In the fifth Mg site, Mg(5) is bonded in a 6-coordinate geometry to one Si(1), one Si(4), one Si(5), and three equivalent Si(2) atoms. In the sixth Mg site, Mg(6) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(6), and three equivalent Si(3) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(2), one Mg(5), one Mg(6), two equivalent Mg(4), one Si(3), and one Si(4) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(4), two equivalent Mg(2), three equivalent Mg(5), and two equivalent Si(5) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(4), two equivalent Mg(3), three equivalent Mg(6), one Si(1), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(3), one Mg(4), one Mg(5), two equivalent Mg(1), one Si(1), and one Si(6) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(4), one Mg(5), three equivalent Mg(2), and two equivalent Si(2) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(6), three equivalent Mg(3), one Si(3), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   6.229
_cell_length_c   14.286
_cell_angle_alpha   100.815
_cell_angle_beta   88.555
_cell_angle_gamma   103.496
_symmetry_Int_Tables_number   1
_cell_volume   453.033
_cell_formula_units_Z   12
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  0.127  0.601  0.264  1.0
  Mg  Mg1  1  0.366  0.693  0.580  1.0
  Mg  Mg2  1  0.711  0.669  0.944  1.0
  Mg  Mg3  1  0.070  0.099  0.269  1.0
  Mg  Mg4  1  0.349  0.216  0.619  1.0
  Mg  Mg5  1  0.766  0.172  0.923  1.0
  Mg  Mg6  1  0.634  0.307  0.420  1.0
  Mg  Mg7  1  0.930  0.901  0.731  1.0
  Mg  Mg8  1  0.234  0.828  0.077  1.0
  Mg  Mg9  1  0.651  0.784  0.381  1.0
  Mg  Mg10  1  0.873  0.399  0.736  1.0
  Mg  Mg11  1  0.289  0.331  0.056  1.0
  Si  Si12  1  0.544  0.996  0.236  1.0
  Si  Si13  1  0.818  0.107  0.566  1.0
  Si  Si14  1  0.193  0.968  0.904  1.0
  Si  Si15  1  0.551  0.402  0.238  1.0
  Si  Si16  1  0.875  0.711  0.543  1.0
  Si  Si17  1  0.185  0.545  0.901  1.0
  Si  Si18  1  0.125  0.289  0.457  1.0
  Si  Si19  1  0.456  0.004  0.764  1.0
  Si  Si20  1  0.815  0.455  0.099  1.0
  Si  Si21  1  0.182  0.893  0.434  1.0
  Si  Si22  1  0.449  0.598  0.762  1.0
  Si  Si23  1  0.807  0.032  0.096  1.0
[/CIF]
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