The crystal structure described by MgWSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/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 eight equivalent Si(1)O4 tetrahedra and edges with three equivalent W(1)O6 octahedra. W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted WO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with three equivalent Mg(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_MgSi2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   6.788
_cell_length_c   4.881
_cell_angle_alpha   82.018
_cell_angle_beta   82.018
_cell_angle_gamma   81.647
_symmetry_Int_Tables_number   1
_cell_volume   218.721
_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  0.732  0.268  0.250  1.0
  Mg  Mg1  1  0.268  0.732  0.750  1.0
  Si  Si2  1  0.778  0.593  0.702  1.0
  Si  Si3  1  0.407  0.222  0.798  1.0
  Si  Si4  1  0.593  0.778  0.202  1.0
  Si  Si5  1  0.222  0.407  0.298  1.0
  W  W6  1  0.933  0.067  0.750  1.0
  W  W7  1  0.067  0.933  0.250  1.0
  O  O8  1  0.695  0.572  0.398  1.0
  O  O9  1  0.428  0.305  0.102  1.0
  O  O10  1  0.305  0.428  0.602  1.0
  O  O11  1  0.572  0.695  0.898  1.0
  O  O12  1  0.850  0.379  0.864  1.0
  O  O13  1  0.621  0.150  0.636  1.0
  O  O14  1  0.150  0.621  0.136  1.0
  O  O15  1  0.379  0.850  0.364  1.0
  O  O16  1  0.750  0.944  0.137  1.0
  O  O17  1  0.056  0.250  0.363  1.0
  O  O18  1  0.944  0.750  0.637  1.0
  O  O19  1  0.250  0.056  0.863  1.0
[/CIF]
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The crystal structure described by MgWSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/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 eight equivalent Si(1)O4 tetrahedra and edges with three equivalent W(1)O6 octahedra. W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted WO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with three equivalent Mg(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_MgSi2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   6.788
_cell_length_c   4.881
_cell_angle_alpha   82.018
_cell_angle_beta   82.018
_cell_angle_gamma   81.647
_symmetry_Int_Tables_number   1
_cell_volume   218.721
_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  0.732  0.268  0.250  1.0
  Mg  Mg1  1  0.268  0.732  0.750  1.0
  Si  Si2  1  0.778  0.593  0.702  1.0
  Si  Si3  1  0.407  0.222  0.798  1.0
  Si  Si4  1  0.593  0.778  0.202  1.0
  Si  Si5  1  0.222  0.407  0.298  1.0
  W  W6  1  0.933  0.067  0.750  1.0
  W  W7  1  0.067  0.933  0.250  1.0
  O  O8  1  0.695  0.572  0.398  1.0
  O  O9  1  0.428  0.305  0.102  1.0
  O  O10  1  0.305  0.428  0.602  1.0
  O  O11  1  0.572  0.695  0.898  1.0
  O  O12  1  0.850  0.379  0.864  1.0
  O  O13  1  0.621  0.150  0.636  1.0
  O  O14  1  0.150  0.621  0.136  1.0
  O  O15  1  0.379  0.850  0.364  1.0
  O  O16  1  0.750  0.944  0.137  1.0
  O  O17  1  0.056  0.250  0.363  1.0
  O  O18  1  0.944  0.750  0.637  1.0
  O  O19  1  0.250  0.056  0.863  1.0
[/CIF]
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