The compound described by MgSi2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent Mg(1) and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four 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   3.985
_cell_length_b   5.284
_cell_length_c   6.187
_cell_angle_alpha   99.691
_cell_angle_beta   108.697
_cell_angle_gamma   111.973
_symmetry_Int_Tables_number   1
_cell_volume   108.096
_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  0.804  0.739  0.036  1.0
  Mg  Mg1  1  0.529  0.761  0.464  1.0
  Si  Si2  1  0.092  0.322  0.030  1.0
  Si  Si3  1  0.983  0.472  0.662  1.0
  Si  Si4  1  0.350  0.028  0.838  1.0
  Si  Si5  1  0.241  0.178  0.470  1.0
[/CIF]
.
The compound described by MgSi2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent Mg(1) and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four 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   3.985
_cell_length_b   5.284
_cell_length_c   6.187
_cell_angle_alpha   99.691
_cell_angle_beta   108.697
_cell_angle_gamma   111.973
_symmetry_Int_Tables_number   1
_cell_volume   108.096
_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  0.804  0.739  0.036  1.0
  Mg  Mg1  1  0.529  0.761  0.464  1.0
  Si  Si2  1  0.092  0.322  0.030  1.0
  Si  Si3  1  0.983  0.472  0.662  1.0
  Si  Si4  1  0.350  0.028  0.838  1.0
  Si  Si5  1  0.241  0.178  0.470  1.0
[/CIF]
.