The material described by Mg(SiO2)6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Si(3)O4 tetrahedra and edges with two equivalent Si(1)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Si(3)O4 tetrahedra and  an edgeedge with one Mg(1)O6 octahedra. In the second Si site, Si(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(SiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.338
_cell_length_b   7.815
_cell_length_c   9.604
_cell_angle_alpha   77.003
_cell_angle_beta   51.122
_cell_angle_gamma   63.919
_symmetry_Int_Tables_number   1
_cell_volume   279.380
_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  0.000  0.000  0.000  1.0
  Si  Si1  1  0.478  0.282  0.303  1.0
  Si  Si2  1  0.286  0.041  0.164  1.0
  Si  Si3  1  0.522  0.718  0.697  1.0
  Si  Si4  1  0.714  0.959  0.836  1.0
  Si  Si5  1  0.908  0.283  0.718  1.0
  Si  Si6  1  0.092  0.717  0.282  1.0
  O  O7  1  0.624  0.502  0.750  1.0
  O  O8  1  0.756  0.140  0.712  1.0
  O  O9  1  0.376  0.498  0.250  1.0
  O  O10  1  0.244  0.860  0.288  1.0
  O  O11  1  0.273  0.264  0.515  1.0
  O  O12  1  0.966  0.220  0.867  1.0
  O  O13  1  0.092  0.821  0.802  1.0
  O  O14  1  0.576  0.849  0.785  1.0
  O  O15  1  0.908  0.179  0.198  1.0
  O  O16  1  0.424  0.151  0.215  1.0
  O  O17  1  0.034  0.780  0.133  1.0
  O  O18  1  0.727  0.736  0.485  1.0
[/CIF]
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The material described by Mg(SiO2)6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Si(3)O4 tetrahedra and edges with two equivalent Si(1)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Si(3)O4 tetrahedra and  an edgeedge with one Mg(1)O6 octahedra. In the second Si site, Si(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(SiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.338
_cell_length_b   7.815
_cell_length_c   9.604
_cell_angle_alpha   77.003
_cell_angle_beta   51.122
_cell_angle_gamma   63.919
_symmetry_Int_Tables_number   1
_cell_volume   279.380
_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  0.000  0.000  0.000  1.0
  Si  Si1  1  0.478  0.282  0.303  1.0
  Si  Si2  1  0.286  0.041  0.164  1.0
  Si  Si3  1  0.522  0.718  0.697  1.0
  Si  Si4  1  0.714  0.959  0.836  1.0
  Si  Si5  1  0.908  0.283  0.718  1.0
  Si  Si6  1  0.092  0.717  0.282  1.0
  O  O7  1  0.624  0.502  0.750  1.0
  O  O8  1  0.756  0.140  0.712  1.0
  O  O9  1  0.376  0.498  0.250  1.0
  O  O10  1  0.244  0.860  0.288  1.0
  O  O11  1  0.273  0.264  0.515  1.0
  O  O12  1  0.966  0.220  0.867  1.0
  O  O13  1  0.092  0.821  0.802  1.0
  O  O14  1  0.576  0.849  0.785  1.0
  O  O15  1  0.908  0.179  0.198  1.0
  O  O16  1  0.424  0.151  0.215  1.0
  O  O17  1  0.034  0.780  0.133  1.0
  O  O18  1  0.727  0.736  0.485  1.0
[/CIF]
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