The material described by MgSi2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to four equivalent Mg(1) and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to five equivalent Mg(1) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_MgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.643
_cell_length_b   4.463
_cell_length_c   6.507
_cell_angle_alpha   79.394
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.998
_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  0.250  0.935  0.200  1.0
  Mg  Mg1  1  0.750  0.065  0.800  1.0
  Si  Si2  1  0.250  0.340  0.465  1.0
  Si  Si3  1  0.750  0.446  0.131  1.0
  Si  Si4  1  0.250  0.554  0.869  1.0
  Si  Si5  1  0.750  0.660  0.535  1.0
[/CIF]
.
The material described by MgSi2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to four equivalent Mg(1) and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to five equivalent Mg(1) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_MgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.643
_cell_length_b   4.463
_cell_length_c   6.507
_cell_angle_alpha   79.394
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.998
_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  0.250  0.935  0.200  1.0
  Mg  Mg1  1  0.750  0.065  0.800  1.0
  Si  Si2  1  0.250  0.340  0.465  1.0
  Si  Si3  1  0.750  0.446  0.131  1.0
  Si  Si4  1  0.250  0.554  0.869  1.0
  Si  Si5  1  0.750  0.660  0.535  1.0
[/CIF]
.