The crystal structure described by Mg2Si3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(1), three equivalent Si(3), and four equivalent Si(2) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent Si(1), two equivalent Si(3), and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(2), one Si(2), one Si(3), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to three equivalent Mg(2), four equivalent Mg(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one Si(1), 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   2.982
_cell_length_b   7.853
_cell_length_c   8.083
_cell_angle_alpha   110.198
_cell_angle_beta   93.249
_cell_angle_gamma   89.377
_symmetry_Int_Tables_number   1
_cell_volume   177.358
_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  0.975  0.201  0.004  1.0
  Mg  Mg1  1  0.025  0.799  0.996  1.0
  Mg  Mg2  1  0.122  0.195  0.592  1.0
  Mg  Mg3  1  0.878  0.805  0.408  1.0
  Si  Si4  1  0.280  0.584  0.620  1.0
  Si  Si5  1  0.720  0.416  0.380  1.0
  Si  Si6  1  0.382  0.919  0.731  1.0
  Si  Si7  1  0.618  0.081  0.269  1.0
  Si  Si8  1  0.600  0.464  0.843  1.0
  Si  Si9  1  0.400  0.536  0.157  1.0
[/CIF]
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The crystal structure described by Mg2Si3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(1), three equivalent Si(3), and four equivalent Si(2) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent Si(1), two equivalent Si(3), and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(2), one Si(2), one Si(3), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to three equivalent Mg(2), four equivalent Mg(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one Si(1), 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   2.982
_cell_length_b   7.853
_cell_length_c   8.083
_cell_angle_alpha   110.198
_cell_angle_beta   93.249
_cell_angle_gamma   89.377
_symmetry_Int_Tables_number   1
_cell_volume   177.358
_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  0.975  0.201  0.004  1.0
  Mg  Mg1  1  0.025  0.799  0.996  1.0
  Mg  Mg2  1  0.122  0.195  0.592  1.0
  Mg  Mg3  1  0.878  0.805  0.408  1.0
  Si  Si4  1  0.280  0.584  0.620  1.0
  Si  Si5  1  0.720  0.416  0.380  1.0
  Si  Si6  1  0.382  0.919  0.731  1.0
  Si  Si7  1  0.618  0.081  0.269  1.0
  Si  Si8  1  0.600  0.464  0.843  1.0
  Si  Si9  1  0.400  0.536  0.157  1.0
[/CIF]
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