The material described by Mg2Si3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Mg(2), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent Mg(2), one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent Mg(2), one Si(1), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Mg(2), two equivalent Mg(1), one Si(2), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.985
_cell_length_c   6.209
_cell_angle_alpha   89.188
_cell_angle_beta   83.439
_cell_angle_gamma   85.681
_symmetry_Int_Tables_number   1
_cell_volume   194.126
_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  0.996  0.740  0.071  1.0
  Mg  Mg1  1  0.757  0.886  0.527  1.0
  Mg  Mg2  1  0.243  0.114  0.473  1.0
  Mg  Mg3  1  0.004  0.260  0.929  1.0
  Si  Si4  1  0.810  0.391  0.541  1.0
  Si  Si5  1  0.190  0.609  0.459  1.0
  Si  Si6  1  0.394  0.947  0.854  1.0
  Si  Si7  1  0.576  0.449  0.223  1.0
  Si  Si8  1  0.424  0.551  0.777  1.0
  Si  Si9  1  0.606  0.053  0.146  1.0
[/CIF]
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The material described by Mg2Si3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Mg(2), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent Mg(2), one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent Mg(2), one Si(1), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Mg(2), two equivalent Mg(1), one Si(2), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.985
_cell_length_c   6.209
_cell_angle_alpha   89.188
_cell_angle_beta   83.439
_cell_angle_gamma   85.681
_symmetry_Int_Tables_number   1
_cell_volume   194.126
_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  0.996  0.740  0.071  1.0
  Mg  Mg1  1  0.757  0.886  0.527  1.0
  Mg  Mg2  1  0.243  0.114  0.473  1.0
  Mg  Mg3  1  0.004  0.260  0.929  1.0
  Si  Si4  1  0.810  0.391  0.541  1.0
  Si  Si5  1  0.190  0.609  0.459  1.0
  Si  Si6  1  0.394  0.947  0.854  1.0
  Si  Si7  1  0.576  0.449  0.223  1.0
  Si  Si8  1  0.424  0.551  0.777  1.0
  Si  Si9  1  0.606  0.053  0.146  1.0
[/CIF]
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