The material structure described by MgSi2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 14-coordinate geometry to three equivalent Mg(1), five equivalent Si(2), and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to six equivalent Mg(1), one Si(1), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to five equivalent Mg(1), one Si(2), and three equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_MgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.464
_cell_length_b   5.075
_cell_length_c   5.552
_cell_angle_alpha   69.835
_cell_angle_beta   66.900
_cell_angle_gamma   66.221
_symmetry_Int_Tables_number   1
_cell_volume   103.225
_cell_formula_units_Z   2
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  0.307  0.094  0.291  1.0
  Mg  Mg1  1  0.693  0.906  0.709  1.0
  Si  Si2  1  0.938  0.257  0.854  1.0
  Si  Si3  1  0.626  0.492  0.260  1.0
  Si  Si4  1  0.062  0.743  0.146  1.0
  Si  Si5  1  0.374  0.508  0.740  1.0
[/CIF]
.
The material structure described by MgSi2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 14-coordinate geometry to three equivalent Mg(1), five equivalent Si(2), and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to six equivalent Mg(1), one Si(1), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to five equivalent Mg(1), one Si(2), and three equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_MgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.464
_cell_length_b   5.075
_cell_length_c   5.552
_cell_angle_alpha   69.835
_cell_angle_beta   66.900
_cell_angle_gamma   66.221
_symmetry_Int_Tables_number   1
_cell_volume   103.225
_cell_formula_units_Z   2
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  0.307  0.094  0.291  1.0
  Mg  Mg1  1  0.693  0.906  0.709  1.0
  Si  Si2  1  0.938  0.257  0.854  1.0
  Si  Si3  1  0.626  0.492  0.260  1.0
  Si  Si4  1  0.062  0.743  0.146  1.0
  Si  Si5  1  0.374  0.508  0.740  1.0
[/CIF]
.