The compound described by Mg5Si6 crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a square co-planar geometry to two equivalent Si(1) and two equivalent Si(2) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), one Si(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent Mg(3), three equivalent Mg(2), and three equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(3), one Si(1), and three equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Mg5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   6.914
_cell_length_c   7.572
_cell_angle_alpha   109.740
_cell_angle_beta   105.756
_cell_angle_gamma   92.591
_symmetry_Int_Tables_number   1
_cell_volume   202.240
_cell_formula_units_Z   1
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  0.500  0.500  1.0
  Mg  Mg1  1  0.146  0.431  0.809  1.0
  Mg  Mg2  1  0.854  0.569  0.191  1.0
  Mg  Mg3  1  0.086  0.875  0.661  1.0
  Mg  Mg4  1  0.914  0.125  0.339  1.0
  Si  Si5  1  0.462  0.829  0.384  1.0
  Si  Si6  1  0.538  0.171  0.616  1.0
  Si  Si7  1  0.309  0.239  0.107  1.0
  Si  Si8  1  0.280  0.869  0.071  1.0
  Si  Si9  1  0.691  0.761  0.893  1.0
  Si  Si10  1  0.720  0.131  0.929  1.0
[/CIF]
.
The compound described by Mg5Si6 crystallizes in the triclinic P-1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a square co-planar geometry to two equivalent Si(1) and two equivalent Si(2) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), one Si(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent Mg(3), three equivalent Mg(2), and three equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(3), one Si(1), and three equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Mg5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   6.914
_cell_length_c   7.572
_cell_angle_alpha   109.740
_cell_angle_beta   105.756
_cell_angle_gamma   92.591
_symmetry_Int_Tables_number   1
_cell_volume   202.240
_cell_formula_units_Z   1
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  0.500  0.500  1.0
  Mg  Mg1  1  0.146  0.431  0.809  1.0
  Mg  Mg2  1  0.854  0.569  0.191  1.0
  Mg  Mg3  1  0.086  0.875  0.661  1.0
  Mg  Mg4  1  0.914  0.125  0.339  1.0
  Si  Si5  1  0.462  0.829  0.384  1.0
  Si  Si6  1  0.538  0.171  0.616  1.0
  Si  Si7  1  0.309  0.239  0.107  1.0
  Si  Si8  1  0.280  0.869  0.071  1.0
  Si  Si9  1  0.691  0.761  0.893  1.0
  Si  Si10  1  0.720  0.131  0.929  1.0
[/CIF]
.