The material structure described by Mg4Si3 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 5-coordinate geometry to one Mg(4), one Si(2), two equivalent Si(3), and three equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to two equivalent Mg(4), one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to two equivalent Mg(4), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Mg(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(4), three equivalent Mg(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(4), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Mg4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.059
_cell_length_b   7.498
_cell_length_c   5.790
_cell_angle_alpha   99.252
_cell_angle_beta   100.493
_cell_angle_gamma   116.504
_symmetry_Int_Tables_number   1
_cell_volume   259.244
_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  0.225  0.202  0.771  1.0
  Mg  Mg1  1  0.811  0.905  0.872  1.0
  Mg  Mg2  1  0.381  0.611  0.434  1.0
  Mg  Mg3  1  0.515  0.038  0.068  1.0
  Mg  Mg4  1  0.521  0.069  0.575  1.0
  Mg  Mg5  1  0.655  0.496  0.209  1.0
  Mg  Mg6  1  0.087  0.772  0.171  1.0
  Mg  Mg7  1  0.948  0.335  0.472  1.0
  Si  Si8  1  0.781  0.912  0.370  1.0
  Si  Si9  1  0.308  0.607  0.914  1.0
  Si  Si10  1  0.126  0.765  0.665  1.0
  Si  Si11  1  0.910  0.342  0.978  1.0
  Si  Si12  1  0.728  0.500  0.729  1.0
  Si  Si13  1  0.255  0.195  0.273  1.0
[/CIF]
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The material structure described by Mg4Si3 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 5-coordinate geometry to one Mg(4), one Si(2), two equivalent Si(3), and three equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to two equivalent Mg(4), one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to two equivalent Mg(4), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Mg(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(4), three equivalent Mg(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(4), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Mg4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.059
_cell_length_b   7.498
_cell_length_c   5.790
_cell_angle_alpha   99.252
_cell_angle_beta   100.493
_cell_angle_gamma   116.504
_symmetry_Int_Tables_number   1
_cell_volume   259.244
_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  0.225  0.202  0.771  1.0
  Mg  Mg1  1  0.811  0.905  0.872  1.0
  Mg  Mg2  1  0.381  0.611  0.434  1.0
  Mg  Mg3  1  0.515  0.038  0.068  1.0
  Mg  Mg4  1  0.521  0.069  0.575  1.0
  Mg  Mg5  1  0.655  0.496  0.209  1.0
  Mg  Mg6  1  0.087  0.772  0.171  1.0
  Mg  Mg7  1  0.948  0.335  0.472  1.0
  Si  Si8  1  0.781  0.912  0.370  1.0
  Si  Si9  1  0.308  0.607  0.914  1.0
  Si  Si10  1  0.126  0.765  0.665  1.0
  Si  Si11  1  0.910  0.342  0.978  1.0
  Si  Si12  1  0.728  0.500  0.729  1.0
  Si  Si13  1  0.255  0.195  0.273  1.0
[/CIF]
.