The material structure described by MgSi crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Mg(2), one Si(1), and three equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 14-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(1), one Si(3), four equivalent Si(1), and five equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Mg(2), one Si(2), two equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(3), four equivalent Mg(2), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mg(3), five equivalent Mg(2), one Si(2), and three equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Mg(3), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.567
_cell_length_b   5.464
_cell_length_c   9.580
_cell_angle_alpha   93.854
_cell_angle_beta   94.541
_cell_angle_gamma   113.579
_symmetry_Int_Tables_number   1
_cell_volume   217.133
_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  0.976  0.858  0.355  1.0
  Mg  Mg1  1  0.024  0.142  0.645  1.0
  Mg  Mg2  1  0.551  0.131  0.864  1.0
  Mg  Mg3  1  0.449  0.869  0.136  1.0
  Mg  Mg4  1  0.733  0.546  0.646  1.0
  Mg  Mg5  1  0.267  0.454  0.354  1.0
  Si  Si6  1  0.760  0.474  0.138  1.0
  Si  Si7  1  0.863  0.759  0.942  1.0
  Si  Si8  1  0.625  0.156  0.408  1.0
  Si  Si9  1  0.375  0.844  0.592  1.0
  Si  Si10  1  0.240  0.526  0.862  1.0
  Si  Si11  1  0.137  0.241  0.058  1.0
[/CIF]
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The material structure described by MgSi crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Mg(2), one Si(1), and three equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 14-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(1), one Si(3), four equivalent Si(1), and five equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Mg(2), one Si(2), two equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(3), four equivalent Mg(2), and three equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mg(3), five equivalent Mg(2), one Si(2), and three equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Mg(3), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.567
_cell_length_b   5.464
_cell_length_c   9.580
_cell_angle_alpha   93.854
_cell_angle_beta   94.541
_cell_angle_gamma   113.579
_symmetry_Int_Tables_number   1
_cell_volume   217.133
_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  0.976  0.858  0.355  1.0
  Mg  Mg1  1  0.024  0.142  0.645  1.0
  Mg  Mg2  1  0.551  0.131  0.864  1.0
  Mg  Mg3  1  0.449  0.869  0.136  1.0
  Mg  Mg4  1  0.733  0.546  0.646  1.0
  Mg  Mg5  1  0.267  0.454  0.354  1.0
  Si  Si6  1  0.760  0.474  0.138  1.0
  Si  Si7  1  0.863  0.759  0.942  1.0
  Si  Si8  1  0.625  0.156  0.408  1.0
  Si  Si9  1  0.375  0.844  0.592  1.0
  Si  Si10  1  0.240  0.526  0.862  1.0
  Si  Si11  1  0.137  0.241  0.058  1.0
[/CIF]
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