The material structure described by Mg2Si3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Si(1), three equivalent Si(2), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Si(3), three equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), three equivalent Mg(2), one Si(1), one Si(3), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to three equivalent Mg(1), four equivalent Mg(2), one Si(3), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), one Si(1), one Si(2), and one Si(3) atom. is represented by the CIF card [CIF]
data_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.482
_cell_length_c   8.990
_cell_angle_alpha   65.727
_cell_angle_beta   65.727
_cell_angle_gamma   47.218
_symmetry_Int_Tables_number   1
_cell_volume   177.196
_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  0.156  0.156  0.974  1.0
  Mg  Mg1  1  0.844  0.844  0.026  1.0
  Mg  Mg2  1  0.123  0.123  0.622  1.0
  Mg  Mg3  1  0.877  0.877  0.378  1.0
  Si  Si4  1  0.410  0.410  0.646  1.0
  Si  Si5  1  0.211  0.211  0.285  1.0
  Si  Si6  1  0.789  0.789  0.715  1.0
  Si  Si7  1  0.590  0.590  0.354  1.0
  Si  Si8  1  0.518  0.518  0.843  1.0
  Si  Si9  1  0.482  0.482  0.157  1.0
[/CIF]
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The material structure described by Mg2Si3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Si(1), three equivalent Si(2), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Si(3), three equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), three equivalent Mg(2), one Si(1), one Si(3), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to three equivalent Mg(1), four equivalent Mg(2), one Si(3), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), one Si(1), one Si(2), and one Si(3) atom. is represented by the CIF card [CIF]
data_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.482
_cell_length_c   8.990
_cell_angle_alpha   65.727
_cell_angle_beta   65.727
_cell_angle_gamma   47.218
_symmetry_Int_Tables_number   1
_cell_volume   177.196
_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  0.156  0.156  0.974  1.0
  Mg  Mg1  1  0.844  0.844  0.026  1.0
  Mg  Mg2  1  0.123  0.123  0.622  1.0
  Mg  Mg3  1  0.877  0.877  0.378  1.0
  Si  Si4  1  0.410  0.410  0.646  1.0
  Si  Si5  1  0.211  0.211  0.285  1.0
  Si  Si6  1  0.789  0.789  0.715  1.0
  Si  Si7  1  0.590  0.590  0.354  1.0
  Si  Si8  1  0.518  0.518  0.843  1.0
  Si  Si9  1  0.482  0.482  0.157  1.0
[/CIF]
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