The compound described by Mg4Si3 is beta Plutonium-derived structured and 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 Si(1), one Si(3), one Si(4), and two equivalent Si(2) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Si(3), one Si(4), two equivalent Si(2), and three equivalent Si(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(2), three equivalent Mg(3), four equivalent Mg(4), one Si(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Si(1), one Si(3), and one Si(4) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Si(2), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Mg4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   5.734
_cell_length_c   9.073
_cell_angle_alpha   101.862
_cell_angle_beta   102.942
_cell_angle_gamma   96.124
_symmetry_Int_Tables_number   1
_cell_volume   260.672
_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  0.859  0.346  0.713  1.0
  Mg  Mg1  1  0.017  0.800  0.594  1.0
  Mg  Mg2  1  0.398  0.156  0.216  1.0
  Mg  Mg3  1  0.722  0.348  0.014  1.0
  Mg  Mg4  1  0.983  0.200  0.406  1.0
  Mg  Mg5  1  0.278  0.652  0.986  1.0
  Mg  Mg6  1  0.141  0.654  0.287  1.0
  Mg  Mg7  1  0.602  0.844  0.784  1.0
  Si  Si8  1  0.144  0.094  0.906  1.0
  Si  Si9  1  0.353  0.316  0.714  1.0
  Si  Si10  1  0.500  0.500  0.500  1.0
  Si  Si11  1  0.856  0.906  0.094  1.0
  Si  Si12  1  0.500  0.000  0.500  1.0
  Si  Si13  1  0.647  0.684  0.286  1.0
[/CIF]
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The compound described by Mg4Si3 is beta Plutonium-derived structured and 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 Si(1), one Si(3), one Si(4), and two equivalent Si(2) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Si(3), one Si(4), two equivalent Si(2), and three equivalent Si(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(2), three equivalent Mg(3), four equivalent Mg(4), one Si(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Si(1), one Si(3), and one Si(4) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Si(2), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Mg4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   5.734
_cell_length_c   9.073
_cell_angle_alpha   101.862
_cell_angle_beta   102.942
_cell_angle_gamma   96.124
_symmetry_Int_Tables_number   1
_cell_volume   260.672
_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  0.859  0.346  0.713  1.0
  Mg  Mg1  1  0.017  0.800  0.594  1.0
  Mg  Mg2  1  0.398  0.156  0.216  1.0
  Mg  Mg3  1  0.722  0.348  0.014  1.0
  Mg  Mg4  1  0.983  0.200  0.406  1.0
  Mg  Mg5  1  0.278  0.652  0.986  1.0
  Mg  Mg6  1  0.141  0.654  0.287  1.0
  Mg  Mg7  1  0.602  0.844  0.784  1.0
  Si  Si8  1  0.144  0.094  0.906  1.0
  Si  Si9  1  0.353  0.316  0.714  1.0
  Si  Si10  1  0.500  0.500  0.500  1.0
  Si  Si11  1  0.856  0.906  0.094  1.0
  Si  Si12  1  0.500  0.000  0.500  1.0
  Si  Si13  1  0.647  0.684  0.286  1.0
[/CIF]
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