The structure described by MgSi2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Pnma 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 8-coordinate geometry to four equivalent Mg(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Si(2), and four equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_MgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.491
_cell_length_b   5.380
_cell_length_c   11.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.330
_cell_formula_units_Z   4
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  0.750  0.773  0.068  1.0
  Mg  Mg1  1  0.250  0.227  0.932  1.0
  Mg  Mg2  1  0.250  0.727  0.568  1.0
  Mg  Mg3  1  0.750  0.273  0.432  1.0
  Si  Si4  1  0.250  0.723  0.867  1.0
  Si  Si5  1  0.750  0.277  0.133  1.0
  Si  Si6  1  0.750  0.777  0.367  1.0
  Si  Si7  1  0.750  0.950  0.750  1.0
  Si  Si8  1  0.250  0.050  0.250  1.0
  Si  Si9  1  0.750  0.450  0.750  1.0
  Si  Si10  1  0.250  0.223  0.633  1.0
  Si  Si11  1  0.250  0.550  0.250  1.0
[/CIF]
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The structure described by MgSi2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Pnma 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 8-coordinate geometry to four equivalent Mg(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Si(2), and four equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_MgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.491
_cell_length_b   5.380
_cell_length_c   11.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.330
_cell_formula_units_Z   4
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  0.750  0.773  0.068  1.0
  Mg  Mg1  1  0.250  0.227  0.932  1.0
  Mg  Mg2  1  0.250  0.727  0.568  1.0
  Mg  Mg3  1  0.750  0.273  0.432  1.0
  Si  Si4  1  0.250  0.723  0.867  1.0
  Si  Si5  1  0.750  0.277  0.133  1.0
  Si  Si6  1  0.750  0.777  0.367  1.0
  Si  Si7  1  0.750  0.950  0.750  1.0
  Si  Si8  1  0.250  0.050  0.250  1.0
  Si  Si9  1  0.750  0.450  0.750  1.0
  Si  Si10  1  0.250  0.223  0.633  1.0
  Si  Si11  1  0.250  0.550  0.250  1.0
[/CIF]
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