The material structure described by Mg4Si3 crystallizes in the triclinic P1 space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Si(2), one Si(3), one Si(4), and one Si(5) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Si(1), one Si(2), one Si(3), and one Si(4) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(1), one Si(2), one Si(3), one Si(4), one Si(5), and one Si(6) atom. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Si(1), one Si(3), one Si(4), one Si(5), and one Si(6) atom. In the fifth Mg site, Mg(5) is bonded in a distorted trigonal non-coplanar geometry to one Si(1), one Si(4), and one Si(6) atom. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Si(1), one Si(3), one Si(4), and one Si(6) atom. In the seventh Mg site, Mg(7) is bonded in a 4-coordinate geometry to one Si(2), one Si(4), one Si(5), and one Si(6) atom. In the eighth Mg site, Mg(8) is bonded in a 2-coordinate geometry to one Si(1), one Si(2), one Si(4), and one Si(5) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(8), one Si(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(7), one Mg(8), one Si(1), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(6), one Si(1), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(3), one Mg(4), one Mg(7), one Mg(8), one Si(2), and one Si(6) atom. In the sixth Si site, Si(6) is bonded in a 7-coordinate geometry to one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), one Si(3), and one Si(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.672
_cell_length_c   7.559
_cell_angle_alpha   105.975
_cell_angle_beta   100.470
_cell_angle_gamma   101.259
_symmetry_Int_Tables_number   1
_cell_volume   281.253
_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  0.237  0.672  0.757  1.0
  Mg  Mg1  1  0.771  0.735  0.824  1.0
  Mg  Mg2  1  0.406  0.681  0.385  1.0
  Mg  Mg3  1  0.627  0.043  0.151  1.0
  Mg  Mg4  1  0.431  0.377  0.945  1.0
  Mg  Mg5  1  0.923  0.352  0.966  1.0
  Mg  Mg6  1  0.501  0.287  0.531  1.0
  Mg  Mg7  1  0.001  0.020  0.601  1.0
  Si  Si8  1  0.790  0.692  0.192  1.0
  Si  Si9  1  0.844  0.582  0.472  1.0
  Si  Si10  1  0.154  0.798  0.113  1.0
  Si  Si11  1  0.551  0.020  0.736  1.0
  Si  Si12  1  0.045  0.308  0.416  1.0
  Si  Si13  1  0.221  0.183  0.160  1.0
[/CIF]
.
The material structure described by Mg4Si3 crystallizes in the triclinic P1 space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Si(2), one Si(3), one Si(4), and one Si(5) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Si(1), one Si(2), one Si(3), and one Si(4) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Si(1), one Si(2), one Si(3), one Si(4), one Si(5), and one Si(6) atom. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one Si(1), one Si(3), one Si(4), one Si(5), and one Si(6) atom. In the fifth Mg site, Mg(5) is bonded in a distorted trigonal non-coplanar geometry to one Si(1), one Si(4), and one Si(6) atom. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Si(1), one Si(3), one Si(4), and one Si(6) atom. In the seventh Mg site, Mg(7) is bonded in a 4-coordinate geometry to one Si(2), one Si(4), one Si(5), and one Si(6) atom. In the eighth Mg site, Mg(8) is bonded in a 2-coordinate geometry to one Si(1), one Si(2), one Si(4), and one Si(5) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(8), one Si(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(7), one Mg(8), one Si(1), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(6), one Si(1), and one Si(6) atom. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(3), one Mg(4), one Mg(7), one Mg(8), one Si(2), and one Si(6) atom. In the sixth Si site, Si(6) is bonded in a 7-coordinate geometry to one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), one Si(3), and one Si(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.672
_cell_length_c   7.559
_cell_angle_alpha   105.975
_cell_angle_beta   100.470
_cell_angle_gamma   101.259
_symmetry_Int_Tables_number   1
_cell_volume   281.253
_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  0.237  0.672  0.757  1.0
  Mg  Mg1  1  0.771  0.735  0.824  1.0
  Mg  Mg2  1  0.406  0.681  0.385  1.0
  Mg  Mg3  1  0.627  0.043  0.151  1.0
  Mg  Mg4  1  0.431  0.377  0.945  1.0
  Mg  Mg5  1  0.923  0.352  0.966  1.0
  Mg  Mg6  1  0.501  0.287  0.531  1.0
  Mg  Mg7  1  0.001  0.020  0.601  1.0
  Si  Si8  1  0.790  0.692  0.192  1.0
  Si  Si9  1  0.844  0.582  0.472  1.0
  Si  Si10  1  0.154  0.798  0.113  1.0
  Si  Si11  1  0.551  0.020  0.736  1.0
  Si  Si12  1  0.045  0.308  0.416  1.0
  Si  Si13  1  0.221  0.183  0.160  1.0
[/CIF]
.