The compound 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 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 6-coordinate geometry to one Si(2), two equivalent Si(3), and three equivalent Si(1) 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(2), three equivalent Mg(1), two equivalent Si(1), and two equivalent Si(3) 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(3), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.527
_cell_length_b   6.103
_cell_length_c   9.136
_cell_angle_alpha   99.276
_cell_angle_beta   100.036
_cell_angle_gamma   106.053
_symmetry_Int_Tables_number   1
_cell_volume   181.477
_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  0.416  0.714  0.590  1.0
  Mg  Mg1  1  0.584  0.286  0.410  1.0
  Mg  Mg2  1  0.742  0.092  0.883  1.0
  Mg  Mg3  1  0.258  0.908  0.117  1.0
  Si  Si4  1  0.517  0.615  0.901  1.0
  Si  Si5  1  0.483  0.385  0.099  1.0
  Si  Si6  1  0.849  0.439  0.720  1.0
  Si  Si7  1  0.151  0.561  0.280  1.0
  Si  Si8  1  0.141  0.115  0.633  1.0
  Si  Si9  1  0.859  0.885  0.367  1.0
[/CIF]
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The compound 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 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 6-coordinate geometry to one Si(2), two equivalent Si(3), and three equivalent Si(1) 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(2), three equivalent Mg(1), two equivalent Si(1), and two equivalent Si(3) 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(3), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.527
_cell_length_b   6.103
_cell_length_c   9.136
_cell_angle_alpha   99.276
_cell_angle_beta   100.036
_cell_angle_gamma   106.053
_symmetry_Int_Tables_number   1
_cell_volume   181.477
_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  0.416  0.714  0.590  1.0
  Mg  Mg1  1  0.584  0.286  0.410  1.0
  Mg  Mg2  1  0.742  0.092  0.883  1.0
  Mg  Mg3  1  0.258  0.908  0.117  1.0
  Si  Si4  1  0.517  0.615  0.901  1.0
  Si  Si5  1  0.483  0.385  0.099  1.0
  Si  Si6  1  0.849  0.439  0.720  1.0
  Si  Si7  1  0.151  0.561  0.280  1.0
  Si  Si8  1  0.141  0.115  0.633  1.0
  Si  Si9  1  0.859  0.885  0.367  1.0
[/CIF]
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