The crystal structure described by MgSiO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. Si(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_MgSiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   4.989
_cell_length_c   9.184
_cell_angle_alpha   90.000
_cell_angle_beta   125.965
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   205.803
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.812  0.672  0.050  1.0
  O  O5  1  0.812  0.828  0.550  1.0
  O  O6  1  0.188  0.328  0.950  1.0
  O  O7  1  0.188  0.172  0.450  1.0
  O  O8  1  0.329  0.454  0.772  1.0
  O  O9  1  0.329  0.046  0.272  1.0
  O  O10  1  0.671  0.546  0.228  1.0
  O  O11  1  0.671  0.954  0.728  1.0
  O  O12  1  0.715  0.229  0.020  1.0
  O  O13  1  0.715  0.271  0.520  1.0
  O  O14  1  0.285  0.771  0.980  1.0
  O  O15  1  0.285  0.729  0.480  1.0
[/CIF]
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The crystal structure described by MgSiO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. Si(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_MgSiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   4.989
_cell_length_c   9.184
_cell_angle_alpha   90.000
_cell_angle_beta   125.965
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   205.803
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.812  0.672  0.050  1.0
  O  O5  1  0.812  0.828  0.550  1.0
  O  O6  1  0.188  0.328  0.950  1.0
  O  O7  1  0.188  0.172  0.450  1.0
  O  O8  1  0.329  0.454  0.772  1.0
  O  O9  1  0.329  0.046  0.272  1.0
  O  O10  1  0.671  0.546  0.228  1.0
  O  O11  1  0.671  0.954  0.728  1.0
  O  O12  1  0.715  0.229  0.020  1.0
  O  O13  1  0.715  0.271  0.520  1.0
  O  O14  1  0.285  0.771  0.980  1.0
  O  O15  1  0.285  0.729  0.480  1.0
[/CIF]
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