The structure described by MgSi is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Si(5), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(3), one Si(4), two equivalent Si(2), and two equivalent Si(6) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(5), and two equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(5), and two equivalent Si(6) atoms. In the fifth Mg site, Mg(5) is bonded in a 6-coordinate geometry to two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. In the sixth Mg site, Mg(6) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(5) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(6), one Si(4), and one Si(5) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(3), two equivalent Mg(2), two equivalent Mg(5), one Si(3), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Mg(2), one Mg(6), two equivalent Mg(1), two equivalent Mg(5), one Si(2), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(5), one Si(1), and two equivalent Si(3) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and one Si(1) atom. In the sixth Si site, Si(6) is bonded in a 7-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Si(2) atom. is represented by the CIF card [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.625
_cell_length_b   5.087
_cell_length_c   10.408
_cell_angle_alpha   86.799
_cell_angle_beta   80.060
_cell_angle_gamma   85.795
_symmetry_Int_Tables_number   1
_cell_volume   240.286
_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  0.905  0.690  0.895  1.0
  Mg  Mg1  1  0.487  0.891  0.244  1.0
  Mg  Mg2  1  0.820  0.581  0.473  1.0
  Mg  Mg3  1  0.364  0.083  0.531  1.0
  Mg  Mg4  1  0.253  0.463  0.107  1.0
  Mg  Mg5  1  0.705  0.293  0.746  1.0
  Si  Si6  1  0.463  0.829  0.769  1.0
  Si  Si7  1  0.717  0.376  0.224  1.0
  Si  Si8  1  0.813  0.191  0.007  1.0
  Si  Si9  1  0.304  0.963  0.990  1.0
  Si  Si10  1  0.241  0.563  0.638  1.0
  Si  Si11  1  0.929  0.078  0.377  1.0
[/CIF]
.
The structure described by MgSi is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Si(5), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(3), one Si(4), two equivalent Si(2), and two equivalent Si(6) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(5), and two equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(5), and two equivalent Si(6) atoms. In the fifth Mg site, Mg(5) is bonded in a 6-coordinate geometry to two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. In the sixth Mg site, Mg(6) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(5) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(6), one Si(4), and one Si(5) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(3), two equivalent Mg(2), two equivalent Mg(5), one Si(3), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Mg(2), one Mg(6), two equivalent Mg(1), two equivalent Mg(5), one Si(2), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(5), one Si(1), and two equivalent Si(3) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and one Si(1) atom. In the sixth Si site, Si(6) is bonded in a 7-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Si(2) atom. is represented by the CIF card [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.625
_cell_length_b   5.087
_cell_length_c   10.408
_cell_angle_alpha   86.799
_cell_angle_beta   80.060
_cell_angle_gamma   85.795
_symmetry_Int_Tables_number   1
_cell_volume   240.286
_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  0.905  0.690  0.895  1.0
  Mg  Mg1  1  0.487  0.891  0.244  1.0
  Mg  Mg2  1  0.820  0.581  0.473  1.0
  Mg  Mg3  1  0.364  0.083  0.531  1.0
  Mg  Mg4  1  0.253  0.463  0.107  1.0
  Mg  Mg5  1  0.705  0.293  0.746  1.0
  Si  Si6  1  0.463  0.829  0.769  1.0
  Si  Si7  1  0.717  0.376  0.224  1.0
  Si  Si8  1  0.813  0.191  0.007  1.0
  Si  Si9  1  0.304  0.963  0.990  1.0
  Si  Si10  1  0.241  0.563  0.638  1.0
  Si  Si11  1  0.929  0.078  0.377  1.0
[/CIF]
.