The material structure described by Mg3Si4 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Si(1), one Si(2), one Si(3), one Si(4), one Si(5), one Si(6), one Si(7), and one Si(8) atom. In the second Mg site, Mg(2) is bonded to one Si(3), one Si(4), one Si(5), one Si(6), and one Si(7) atom to form distorted MgSi5 square pyramids that share  a cornercorner with one Si(6)Mg4Si3 hexagonal pyramid. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Si(3), one Si(4), one Si(5), one Si(6), and one Si(8) atom. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to one Si(1), one Si(3), one Si(4), one Si(5), one Si(7), one Si(8), and two equivalent Si(2) atoms. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one Si(1), one Si(3), one Si(4), one Si(5), one Si(6), one Si(7), and one Si(8) atom. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), one Si(5), and one Si(7) atom. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Si(2), one Si(4), one Si(6), and one Si(7) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(4), one Si(1), one Si(3), one Si(5), and one Si(8) atom. In the third Si site, Si(3) 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 Si(2), and one Si(4) 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 Si(1), and one Si(3) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), and one Si(2) atom. In the sixth Si site, Si(6) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(5), one Si(1), one Si(7), and one Si(8) atom to form distorted SiMg4Si3 hexagonal pyramids that share  a cornercorner with one Mg(2)Si5 square pyramid. In the seventh Si site, Si(7) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Si(1), and one Si(6) atom. In the eighth Si site, Si(8) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(3), one Mg(4), one Mg(5), one Si(2), and one Si(6) atom. is represented by the CIF card [CIF]
data_Mg3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   7.590
_cell_length_c   7.357
_cell_angle_alpha   111.074
_cell_angle_beta   106.800
_cell_angle_gamma   106.972
_symmetry_Int_Tables_number   1
_cell_volume   261.206
_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  0.178  0.557  0.472  1.0
  Mg  Mg1  1  0.565  0.532  0.223  1.0
  Mg  Mg2  1  0.498  0.111  0.824  1.0
  Mg  Mg3  1  0.349  0.108  0.228  1.0
  Mg  Mg4  1  0.974  0.584  0.016  1.0
  Mg  Mg5  1  0.914  0.872  0.729  1.0
  Si  Si6  1  0.874  0.230  0.575  1.0
  Si  Si7  1  0.855  0.055  0.218  1.0
  Si  Si8  1  0.072  0.889  0.410  1.0
  Si  Si9  1  0.490  0.878  0.410  1.0
  Si  Si10  1  0.030  0.248  0.047  1.0
  Si  Si11  1  0.375  0.435  0.782  1.0
  Si  Si12  1  0.668  0.467  0.597  1.0
  Si  Si13  1  0.411  0.786  0.968  1.0
[/CIF]
.
The material structure described by Mg3Si4 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Si(1), one Si(2), one Si(3), one Si(4), one Si(5), one Si(6), one Si(7), and one Si(8) atom. In the second Mg site, Mg(2) is bonded to one Si(3), one Si(4), one Si(5), one Si(6), and one Si(7) atom to form distorted MgSi5 square pyramids that share  a cornercorner with one Si(6)Mg4Si3 hexagonal pyramid. In the third Mg site, Mg(3) is bonded in a 5-coordinate geometry to one Si(3), one Si(4), one Si(5), one Si(6), and one Si(8) atom. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to one Si(1), one Si(3), one Si(4), one Si(5), one Si(7), one Si(8), and two equivalent Si(2) atoms. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one Si(1), one Si(3), one Si(4), one Si(5), one Si(6), one Si(7), and one Si(8) atom. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), one Si(5), and one Si(7) atom. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Si(2), one Si(4), one Si(6), and one Si(7) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(4), one Si(1), one Si(3), one Si(5), and one Si(8) atom. In the third Si site, Si(3) 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 Si(2), and one Si(4) 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 Si(1), and one Si(3) atom. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), and one Si(2) atom. In the sixth Si site, Si(6) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(5), one Si(1), one Si(7), and one Si(8) atom to form distorted SiMg4Si3 hexagonal pyramids that share  a cornercorner with one Mg(2)Si5 square pyramid. In the seventh Si site, Si(7) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Si(1), and one Si(6) atom. In the eighth Si site, Si(8) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(3), one Mg(4), one Mg(5), one Si(2), and one Si(6) atom. is represented by the CIF card [CIF]
data_Mg3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   7.590
_cell_length_c   7.357
_cell_angle_alpha   111.074
_cell_angle_beta   106.800
_cell_angle_gamma   106.972
_symmetry_Int_Tables_number   1
_cell_volume   261.206
_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  0.178  0.557  0.472  1.0
  Mg  Mg1  1  0.565  0.532  0.223  1.0
  Mg  Mg2  1  0.498  0.111  0.824  1.0
  Mg  Mg3  1  0.349  0.108  0.228  1.0
  Mg  Mg4  1  0.974  0.584  0.016  1.0
  Mg  Mg5  1  0.914  0.872  0.729  1.0
  Si  Si6  1  0.874  0.230  0.575  1.0
  Si  Si7  1  0.855  0.055  0.218  1.0
  Si  Si8  1  0.072  0.889  0.410  1.0
  Si  Si9  1  0.490  0.878  0.410  1.0
  Si  Si10  1  0.030  0.248  0.047  1.0
  Si  Si11  1  0.375  0.435  0.782  1.0
  Si  Si12  1  0.668  0.467  0.597  1.0
  Si  Si13  1  0.411  0.786  0.968  1.0
[/CIF]
.