The material structure described by Mg2Si3 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Si(1), one Si(2), two equivalent Si(3), and two equivalent Si(6) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Si(6), two equivalent Si(1), and four equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(4), one Si(5), two equivalent Si(3), and two equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 3-coordinate geometry to two equivalent Si(3), four equivalent Si(4), and four equivalent Si(5) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Mg(2), one Si(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Mg(1), four equivalent Mg(2), one Si(6), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), one Si(5), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Mg(3), four equivalent Mg(4), one Si(4), and three equivalent Si(5) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Mg(3), four equivalent Mg(4), one Si(3), and three equivalent Si(4) atoms. In the sixth Si site, Si(6) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), 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   4.516
_cell_length_b   5.242
_cell_length_c   17.069
_cell_angle_alpha   92.590
_cell_angle_beta   95.631
_cell_angle_gamma   111.622
_symmetry_Int_Tables_number   1
_cell_volume   372.371
_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  0.013  0.895  0.784  1.0
  Mg  Mg1  1  0.987  0.105  0.216  1.0
  Mg  Mg2  1  0.653  0.322  0.912  1.0
  Mg  Mg3  1  0.347  0.678  0.088  1.0
  Mg  Mg4  1  0.355  0.705  0.300  1.0
  Mg  Mg5  1  0.645  0.295  0.700  1.0
  Mg  Mg6  1  0.057  0.147  0.405  1.0
  Mg  Mg7  1  0.943  0.853  0.595  1.0
  Si  Si8  1  0.921  0.908  0.936  1.0
  Si  Si9  1  0.674  0.275  0.081  1.0
  Si  Si10  1  0.326  0.725  0.919  1.0
  Si  Si11  1  0.079  0.092  0.064  1.0
  Si  Si12  1  0.573  0.263  0.309  1.0
  Si  Si13  1  0.427  0.737  0.691  1.0
  Si  Si14  1  0.363  0.756  0.475  1.0
  Si  Si15  1  0.637  0.244  0.525  1.0
  Si  Si16  1  0.768  0.579  0.426  1.0
  Si  Si17  1  0.232  0.421  0.574  1.0
  Si  Si18  1  0.219  0.449  0.796  1.0
  Si  Si19  1  0.781  0.551  0.204  1.0
[/CIF]
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The material structure described by Mg2Si3 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Si(1), one Si(2), two equivalent Si(3), and two equivalent Si(6) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Si(6), two equivalent Si(1), and four equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(4), one Si(5), two equivalent Si(3), and two equivalent Si(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 3-coordinate geometry to two equivalent Si(3), four equivalent Si(4), and four equivalent Si(5) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Mg(2), one Si(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Mg(1), four equivalent Mg(2), one Si(6), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), one Si(5), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Mg(3), four equivalent Mg(4), one Si(4), and three equivalent Si(5) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Mg(3), four equivalent Mg(4), one Si(3), and three equivalent Si(4) atoms. In the sixth Si site, Si(6) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), 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   4.516
_cell_length_b   5.242
_cell_length_c   17.069
_cell_angle_alpha   92.590
_cell_angle_beta   95.631
_cell_angle_gamma   111.622
_symmetry_Int_Tables_number   1
_cell_volume   372.371
_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  0.013  0.895  0.784  1.0
  Mg  Mg1  1  0.987  0.105  0.216  1.0
  Mg  Mg2  1  0.653  0.322  0.912  1.0
  Mg  Mg3  1  0.347  0.678  0.088  1.0
  Mg  Mg4  1  0.355  0.705  0.300  1.0
  Mg  Mg5  1  0.645  0.295  0.700  1.0
  Mg  Mg6  1  0.057  0.147  0.405  1.0
  Mg  Mg7  1  0.943  0.853  0.595  1.0
  Si  Si8  1  0.921  0.908  0.936  1.0
  Si  Si9  1  0.674  0.275  0.081  1.0
  Si  Si10  1  0.326  0.725  0.919  1.0
  Si  Si11  1  0.079  0.092  0.064  1.0
  Si  Si12  1  0.573  0.263  0.309  1.0
  Si  Si13  1  0.427  0.737  0.691  1.0
  Si  Si14  1  0.363  0.756  0.475  1.0
  Si  Si15  1  0.637  0.244  0.525  1.0
  Si  Si16  1  0.768  0.579  0.426  1.0
  Si  Si17  1  0.232  0.421  0.574  1.0
  Si  Si18  1  0.219  0.449  0.796  1.0
  Si  Si19  1  0.781  0.551  0.204  1.0
[/CIF]
.