The structure described by Mg3Si4 crystallizes in the monoclinic P2/m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), two equivalent Si(4), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mg site, Mg(3) is bonded in a distorted square co-planar geometry to two equivalent Si(4) and four equivalent Si(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to four equivalent Si(3) and four equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent 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), two equivalent Mg(2), two equivalent Mg(3), one Si(2), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), one Si(3), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Mg3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.255
_cell_length_b   5.925
_cell_length_c   9.890
_cell_angle_alpha   84.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.309
_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  0.500  0.085  0.845  1.0
  Mg  Mg1  1  0.500  0.362  0.299  1.0
  Mg  Mg2  1  0.500  0.638  0.701  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Mg  Mg4  1  0.500  0.915  0.155  1.0
  Mg  Mg5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.017  0.364  1.0
  Si  Si7  1  0.500  0.834  0.439  1.0
  Si  Si8  1  0.000  0.205  0.059  1.0
  Si  Si9  1  0.000  0.416  0.825  1.0
  Si  Si10  1  0.000  0.983  0.636  1.0
  Si  Si11  1  0.000  0.795  0.941  1.0
  Si  Si12  1  0.000  0.584  0.175  1.0
  Si  Si13  1  0.500  0.166  0.561  1.0
[/CIF]
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The structure described by Mg3Si4 crystallizes in the monoclinic P2/m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), two equivalent Si(4), and four equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mg site, Mg(3) is bonded in a distorted square co-planar geometry to two equivalent Si(4) and four equivalent Si(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to four equivalent Si(3) and four equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent 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), two equivalent Mg(2), two equivalent Mg(3), one Si(2), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), one Si(3), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Mg3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.255
_cell_length_b   5.925
_cell_length_c   9.890
_cell_angle_alpha   84.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.309
_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  0.500  0.085  0.845  1.0
  Mg  Mg1  1  0.500  0.362  0.299  1.0
  Mg  Mg2  1  0.500  0.638  0.701  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Mg  Mg4  1  0.500  0.915  0.155  1.0
  Mg  Mg5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.017  0.364  1.0
  Si  Si7  1  0.500  0.834  0.439  1.0
  Si  Si8  1  0.000  0.205  0.059  1.0
  Si  Si9  1  0.000  0.416  0.825  1.0
  Si  Si10  1  0.000  0.983  0.636  1.0
  Si  Si11  1  0.000  0.795  0.941  1.0
  Si  Si12  1  0.000  0.584  0.175  1.0
  Si  Si13  1  0.500  0.166  0.561  1.0
[/CIF]
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