The material structure described by Mg2Si3 is Magnesium tetraboride-like structured and 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), one Si(2), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Si(3), three equivalent Si(1), 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), three 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), three equivalent Mg(2), one Si(2), one Si(3), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(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   4.331
_cell_length_b   5.500
_cell_length_c   8.295
_cell_angle_alpha   100.628
_cell_angle_beta   91.466
_cell_angle_gamma   101.778
_symmetry_Int_Tables_number   1
_cell_volume   189.730
_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  0.200  0.339  0.580  1.0
  Mg  Mg1  1  0.800  0.661  0.420  1.0
  Mg  Mg2  1  0.847  0.774  0.801  1.0
  Mg  Mg3  1  0.153  0.226  0.199  1.0
  Si  Si4  1  0.990  0.345  0.879  1.0
  Si  Si5  1  0.549  0.873  0.117  1.0
  Si  Si6  1  0.451  0.127  0.883  1.0
  Si  Si7  1  0.010  0.655  0.121  1.0
  Si  Si8  1  0.370  0.870  0.600  1.0
  Si  Si9  1  0.630  0.130  0.400  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 two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Si(3), three equivalent Si(1), 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), three 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), three equivalent Mg(2), one Si(2), one Si(3), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(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   4.331
_cell_length_b   5.500
_cell_length_c   8.295
_cell_angle_alpha   100.628
_cell_angle_beta   91.466
_cell_angle_gamma   101.778
_symmetry_Int_Tables_number   1
_cell_volume   189.730
_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  0.200  0.339  0.580  1.0
  Mg  Mg1  1  0.800  0.661  0.420  1.0
  Mg  Mg2  1  0.847  0.774  0.801  1.0
  Mg  Mg3  1  0.153  0.226  0.199  1.0
  Si  Si4  1  0.990  0.345  0.879  1.0
  Si  Si5  1  0.549  0.873  0.117  1.0
  Si  Si6  1  0.451  0.127  0.883  1.0
  Si  Si7  1  0.010  0.655  0.121  1.0
  Si  Si8  1  0.370  0.870  0.600  1.0
  Si  Si9  1  0.630  0.130  0.400  1.0
[/CIF]
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