The material structure described by MgSi is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Si(10), one Si(9), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Si(10), one Si(2), one Si(5), one Si(7), and one Si(8) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(11), one Si(9), two equivalent Si(3), and two equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one Si(12), one Si(7), two equivalent Si(1), and two equivalent Si(4) atoms. In the fifth Mg site, Mg(5) is bonded in a 5-coordinate geometry to one Si(11), two equivalent Si(2), and two equivalent Si(5) atoms. In the sixth Mg site, Mg(6) is bonded in a 6-coordinate geometry to one Si(12), one Si(8), two equivalent Si(3), and two equivalent Si(6) atoms. In the seventh Mg site, Mg(7) is bonded in a 5-coordinate geometry to one Si(1), one Si(10), one Si(2), one Si(5), and one Si(7) atom. In the eighth Mg site, Mg(8) is bonded in a 6-coordinate geometry to one Si(3), one Si(5), two equivalent Si(11), and two equivalent Si(8) atoms. In the ninth Mg site, Mg(9) is bonded in a 6-coordinate geometry to one Si(4), one Si(6), two equivalent Si(12), and two equivalent Si(9) atoms. In the tenth Mg site, Mg(10) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(10), and two equivalent Si(7) atoms. In the eleventh Mg site, Mg(11) is bonded in a 6-coordinate geometry to one Si(2), one Si(6), two equivalent Si(11), and two equivalent Si(8) atoms. In the twelfth Mg site, Mg(12) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(12), and two equivalent Si(9) atoms. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(12), one Mg(7), two equivalent Mg(1), two equivalent Mg(4), one Si(12), and one Si(9) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(11), one Mg(2), one Mg(7), two equivalent Mg(5), one Si(10), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(12), one Mg(8), two equivalent Mg(3), two equivalent Mg(6), one Si(11), and one Si(8) atom. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(10), one Mg(9), two equivalent Mg(1), two equivalent Mg(4), one Si(12), and one Si(9) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(2), one Mg(7), one Mg(8), two equivalent Mg(5), one Si(2), and one Si(7) atom. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to one Mg(11), one Mg(9), two equivalent Mg(3), two equivalent Mg(6), one Si(11), and one Si(8) atom. In the seventh Si site, Si(7) is bonded in a 7-coordinate geometry to one Mg(2), one Mg(4), one Mg(7), two equivalent Mg(10), one Si(10), and one Si(5) atom. In the eighth Si site, Si(8) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(6), two equivalent Mg(11), two equivalent Mg(8), one Si(3), and one Si(6) atom. In the ninth Si site, Si(9) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(12), two equivalent Mg(9), one Si(1), and one Si(4) atom. In the tenth Si site, Si(10) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(7), two equivalent Mg(10), one Si(2), and one Si(7) atom. In the eleventh Si site, Si(11) is bonded in a 8-coordinate geometry to one Mg(3), one Mg(5), two equivalent Mg(11), two equivalent Mg(8), one Si(3), and one Si(6) atom. In the twelfth Si site, Si(12) is bonded in a 8-coordinate geometry to one Mg(4), one Mg(6), two equivalent Mg(12), two equivalent Mg(9), one Si(1), and one Si(4) atom. is represented by the CIF file [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.453
_cell_length_b   7.097
_cell_length_c   14.987
_cell_angle_alpha   96.991
_cell_angle_beta   96.089
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   467.501
_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  0.374  0.061  0.005  1.0
  Mg  Mg1  1  0.130  0.399  0.343  1.0
  Mg  Mg2  1  0.685  0.979  0.677  1.0
  Mg  Mg3  1  0.373  0.567  0.005  1.0
  Mg  Mg4  1  0.184  0.905  0.365  1.0
  Mg  Mg5  1  0.668  0.485  0.679  1.0
  Mg  Mg6  1  0.883  0.852  0.156  1.0
  Mg  Mg7  1  0.695  0.684  0.493  1.0
  Mg  Mg8  1  0.236  0.271  0.823  1.0
  Mg  Mg9  1  0.828  0.347  0.136  1.0
  Mg  Mg10  1  0.698  0.186  0.493  1.0
  Mg  Mg11  1  0.219  0.765  0.820  1.0
  Si  Si12  1  0.866  0.807  0.969  1.0
  Si  Si13  1  0.663  0.079  0.311  1.0
  Si  Si14  1  0.148  0.712  0.637  1.0
  Si  Si15  1  0.863  0.301  0.958  1.0
  Si  Si16  1  0.664  0.701  0.311  1.0
  Si  Si17  1  0.150  0.232  0.639  1.0
  Si  Si18  1  0.345  0.551  0.186  1.0
  Si  Si19  1  0.222  0.443  0.530  1.0
  Si  Si20  1  0.733  0.019  0.860  1.0
  Si  Si21  1  0.348  0.169  0.186  1.0
  Si  Si22  1  0.219  0.950  0.543  1.0
  Si  Si23  1  0.734  0.536  0.863  1.0
[/CIF]
.
The material structure described by MgSi is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Si(10), one Si(9), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Si(10), one Si(2), one Si(5), one Si(7), and one Si(8) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(11), one Si(9), two equivalent Si(3), and two equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one Si(12), one Si(7), two equivalent Si(1), and two equivalent Si(4) atoms. In the fifth Mg site, Mg(5) is bonded in a 5-coordinate geometry to one Si(11), two equivalent Si(2), and two equivalent Si(5) atoms. In the sixth Mg site, Mg(6) is bonded in a 6-coordinate geometry to one Si(12), one Si(8), two equivalent Si(3), and two equivalent Si(6) atoms. In the seventh Mg site, Mg(7) is bonded in a 5-coordinate geometry to one Si(1), one Si(10), one Si(2), one Si(5), and one Si(7) atom. In the eighth Mg site, Mg(8) is bonded in a 6-coordinate geometry to one Si(3), one Si(5), two equivalent Si(11), and two equivalent Si(8) atoms. In the ninth Mg site, Mg(9) is bonded in a 6-coordinate geometry to one Si(4), one Si(6), two equivalent Si(12), and two equivalent Si(9) atoms. In the tenth Mg site, Mg(10) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(10), and two equivalent Si(7) atoms. In the eleventh Mg site, Mg(11) is bonded in a 6-coordinate geometry to one Si(2), one Si(6), two equivalent Si(11), and two equivalent Si(8) atoms. In the twelfth Mg site, Mg(12) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(12), and two equivalent Si(9) atoms. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(12), one Mg(7), two equivalent Mg(1), two equivalent Mg(4), one Si(12), and one Si(9) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(11), one Mg(2), one Mg(7), two equivalent Mg(5), one Si(10), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(12), one Mg(8), two equivalent Mg(3), two equivalent Mg(6), one Si(11), and one Si(8) atom. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(10), one Mg(9), two equivalent Mg(1), two equivalent Mg(4), one Si(12), and one Si(9) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(2), one Mg(7), one Mg(8), two equivalent Mg(5), one Si(2), and one Si(7) atom. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to one Mg(11), one Mg(9), two equivalent Mg(3), two equivalent Mg(6), one Si(11), and one Si(8) atom. In the seventh Si site, Si(7) is bonded in a 7-coordinate geometry to one Mg(2), one Mg(4), one Mg(7), two equivalent Mg(10), one Si(10), and one Si(5) atom. In the eighth Si site, Si(8) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(6), two equivalent Mg(11), two equivalent Mg(8), one Si(3), and one Si(6) atom. In the ninth Si site, Si(9) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(12), two equivalent Mg(9), one Si(1), and one Si(4) atom. In the tenth Si site, Si(10) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(7), two equivalent Mg(10), one Si(2), and one Si(7) atom. In the eleventh Si site, Si(11) is bonded in a 8-coordinate geometry to one Mg(3), one Mg(5), two equivalent Mg(11), two equivalent Mg(8), one Si(3), and one Si(6) atom. In the twelfth Si site, Si(12) is bonded in a 8-coordinate geometry to one Mg(4), one Mg(6), two equivalent Mg(12), two equivalent Mg(9), one Si(1), and one Si(4) atom. is represented by the CIF file [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.453
_cell_length_b   7.097
_cell_length_c   14.987
_cell_angle_alpha   96.991
_cell_angle_beta   96.089
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   467.501
_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  0.374  0.061  0.005  1.0
  Mg  Mg1  1  0.130  0.399  0.343  1.0
  Mg  Mg2  1  0.685  0.979  0.677  1.0
  Mg  Mg3  1  0.373  0.567  0.005  1.0
  Mg  Mg4  1  0.184  0.905  0.365  1.0
  Mg  Mg5  1  0.668  0.485  0.679  1.0
  Mg  Mg6  1  0.883  0.852  0.156  1.0
  Mg  Mg7  1  0.695  0.684  0.493  1.0
  Mg  Mg8  1  0.236  0.271  0.823  1.0
  Mg  Mg9  1  0.828  0.347  0.136  1.0
  Mg  Mg10  1  0.698  0.186  0.493  1.0
  Mg  Mg11  1  0.219  0.765  0.820  1.0
  Si  Si12  1  0.866  0.807  0.969  1.0
  Si  Si13  1  0.663  0.079  0.311  1.0
  Si  Si14  1  0.148  0.712  0.637  1.0
  Si  Si15  1  0.863  0.301  0.958  1.0
  Si  Si16  1  0.664  0.701  0.311  1.0
  Si  Si17  1  0.150  0.232  0.639  1.0
  Si  Si18  1  0.345  0.551  0.186  1.0
  Si  Si19  1  0.222  0.443  0.530  1.0
  Si  Si20  1  0.733  0.019  0.860  1.0
  Si  Si21  1  0.348  0.169  0.186  1.0
  Si  Si22  1  0.219  0.950  0.543  1.0
  Si  Si23  1  0.734  0.536  0.863  1.0
[/CIF]
.