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 4-coordinate geometry to one Si(2), one Si(3), one Si(5), and two equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), two equivalent Si(4), and two equivalent Si(6) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(1), one Si(6), two equivalent Si(2), and two equivalent Si(5) atoms. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(5) atoms. In the fifth Mg site, Mg(5) is bonded in a 6-coordinate geometry to one Si(2), one Si(4), two equivalent Si(3), and two equivalent Si(6) atoms. In the sixth Mg site, Mg(6) is bonded in a 5-coordinate geometry to one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(3), 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 8-coordinate geometry to one Mg(1), one Mg(2), one Mg(5), two equivalent Mg(3), two equivalent Mg(4), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(6), two equivalent Mg(5), one Si(4), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to one Mg(5), one Mg(6), two equivalent Mg(2), one Si(1), one Si(3), and one Si(6) atom. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(6), two equivalent Mg(3), two equivalent Mg(4), one Si(1), and one Si(2) atom. In the sixth Si site, Si(6) 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(4) atom. is represented by the CIF card [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   5.628
_cell_length_c   9.051
_cell_angle_alpha   95.167
_cell_angle_beta   97.759
_cell_angle_gamma   105.159
_symmetry_Int_Tables_number   1
_cell_volume   239.173
_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  0.116  0.563  0.248  1.0
  Mg  Mg1  1  0.076  0.837  0.813  1.0
  Mg  Mg2  1  0.325  0.097  0.527  1.0
  Mg  Mg3  1  0.711  0.710  0.460  1.0
  Mg  Mg4  1  0.259  0.384  0.831  1.0
  Mg  Mg5  1  0.462  0.197  0.155  1.0
  Si  Si6  1  0.930  0.979  0.220  1.0
  Si  Si7  1  0.202  0.577  0.564  1.0
  Si  Si8  1  0.810  0.483  0.979  1.0
  Si  Si9  1  0.606  0.830  0.981  1.0
  Si  Si10  1  0.820  0.227  0.426  1.0
  Si  Si11  1  0.683  0.116  0.797  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 4-coordinate geometry to one Si(2), one Si(3), one Si(5), and two equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), two equivalent Si(4), and two equivalent Si(6) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(1), one Si(6), two equivalent Si(2), and two equivalent Si(5) atoms. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(5) atoms. In the fifth Mg site, Mg(5) is bonded in a 6-coordinate geometry to one Si(2), one Si(4), two equivalent Si(3), and two equivalent Si(6) atoms. In the sixth Mg site, Mg(6) is bonded in a 5-coordinate geometry to one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(3), 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 8-coordinate geometry to one Mg(1), one Mg(2), one Mg(5), two equivalent Mg(3), two equivalent Mg(4), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(6), two equivalent Mg(5), one Si(4), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to one Mg(5), one Mg(6), two equivalent Mg(2), one Si(1), one Si(3), and one Si(6) atom. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(6), two equivalent Mg(3), two equivalent Mg(4), one Si(1), and one Si(2) atom. In the sixth Si site, Si(6) 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(4) atom. is represented by the CIF card [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   5.628
_cell_length_c   9.051
_cell_angle_alpha   95.167
_cell_angle_beta   97.759
_cell_angle_gamma   105.159
_symmetry_Int_Tables_number   1
_cell_volume   239.173
_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  0.116  0.563  0.248  1.0
  Mg  Mg1  1  0.076  0.837  0.813  1.0
  Mg  Mg2  1  0.325  0.097  0.527  1.0
  Mg  Mg3  1  0.711  0.710  0.460  1.0
  Mg  Mg4  1  0.259  0.384  0.831  1.0
  Mg  Mg5  1  0.462  0.197  0.155  1.0
  Si  Si6  1  0.930  0.979  0.220  1.0
  Si  Si7  1  0.202  0.577  0.564  1.0
  Si  Si8  1  0.810  0.483  0.979  1.0
  Si  Si9  1  0.606  0.830  0.981  1.0
  Si  Si10  1  0.820  0.227  0.426  1.0
  Si  Si11  1  0.683  0.116  0.797  1.0
[/CIF]
.