The compound 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 4-coordinate geometry to one Si(2), two equivalent Si(3), and three 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(3), and four equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to one Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Mg(3), one Si(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(3), four equivalent Mg(2), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), three equivalent Mg(3), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.639
_cell_length_c   8.577
_cell_angle_alpha   100.862
_cell_angle_beta   103.172
_cell_angle_gamma   110.683
_symmetry_Int_Tables_number   1
_cell_volume   226.737
_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  0.483  0.031  0.692  1.0
  Mg  Mg1  1  0.759  0.809  0.041  1.0
  Mg  Mg2  1  0.517  0.969  0.308  1.0
  Mg  Mg3  1  0.164  0.399  0.361  1.0
  Mg  Mg4  1  0.241  0.191  0.959  1.0
  Mg  Mg5  1  0.836  0.601  0.639  1.0
  Si  Si6  1  0.957  0.117  0.614  1.0
  Si  Si7  1  0.819  0.320  0.025  1.0
  Si  Si8  1  0.181  0.680  0.975  1.0
  Si  Si9  1  0.345  0.533  0.732  1.0
  Si  Si10  1  0.043  0.883  0.386  1.0
  Si  Si11  1  0.655  0.467  0.268  1.0
[/CIF]
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The compound 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 4-coordinate geometry to one Si(2), two equivalent Si(3), and three 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(3), and four equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to one Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Mg(3), one Si(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(3), four equivalent Mg(2), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), three equivalent Mg(3), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.639
_cell_length_c   8.577
_cell_angle_alpha   100.862
_cell_angle_beta   103.172
_cell_angle_gamma   110.683
_symmetry_Int_Tables_number   1
_cell_volume   226.737
_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  0.483  0.031  0.692  1.0
  Mg  Mg1  1  0.759  0.809  0.041  1.0
  Mg  Mg2  1  0.517  0.969  0.308  1.0
  Mg  Mg3  1  0.164  0.399  0.361  1.0
  Mg  Mg4  1  0.241  0.191  0.959  1.0
  Mg  Mg5  1  0.836  0.601  0.639  1.0
  Si  Si6  1  0.957  0.117  0.614  1.0
  Si  Si7  1  0.819  0.320  0.025  1.0
  Si  Si8  1  0.181  0.680  0.975  1.0
  Si  Si9  1  0.345  0.533  0.732  1.0
  Si  Si10  1  0.043  0.883  0.386  1.0
  Si  Si11  1  0.655  0.467  0.268  1.0
[/CIF]
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