The structure described by Mg3WO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, 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 W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W tetrahedra. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mg(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.360
_cell_length_b   5.170
_cell_length_c   9.258
_cell_angle_alpha   56.295
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.392
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.949  0.728  0.262  1.0
  Mg  Mg2  1  0.449  0.272  0.238  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Mg  Mg4  1  0.551  0.728  0.762  1.0
  Mg  Mg5  1  0.051  0.272  0.738  1.0
  W  W6  1  0.500  0.000  0.000  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.425  0.104  0.764  1.0
  O  O9  1  0.198  0.747  0.084  1.0
  O  O10  1  0.178  0.370  0.443  1.0
  O  O11  1  0.678  0.630  0.057  1.0
  O  O12  1  0.698  0.253  0.416  1.0
  O  O13  1  0.925  0.896  0.736  1.0
  O  O14  1  0.075  0.104  0.264  1.0
  O  O15  1  0.302  0.747  0.584  1.0
  O  O16  1  0.322  0.370  0.943  1.0
  O  O17  1  0.822  0.630  0.557  1.0
  O  O18  1  0.802  0.253  0.916  1.0
  O  O19  1  0.575  0.896  0.236  1.0
[/CIF]
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The structure described by Mg3WO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, 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 W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W tetrahedra. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mg(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.360
_cell_length_b   5.170
_cell_length_c   9.258
_cell_angle_alpha   56.295
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.392
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.949  0.728  0.262  1.0
  Mg  Mg2  1  0.449  0.272  0.238  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Mg  Mg4  1  0.551  0.728  0.762  1.0
  Mg  Mg5  1  0.051  0.272  0.738  1.0
  W  W6  1  0.500  0.000  0.000  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.425  0.104  0.764  1.0
  O  O9  1  0.198  0.747  0.084  1.0
  O  O10  1  0.178  0.370  0.443  1.0
  O  O11  1  0.678  0.630  0.057  1.0
  O  O12  1  0.698  0.253  0.416  1.0
  O  O13  1  0.925  0.896  0.736  1.0
  O  O14  1  0.075  0.104  0.264  1.0
  O  O15  1  0.302  0.747  0.584  1.0
  O  O16  1  0.322  0.370  0.943  1.0
  O  O17  1  0.822  0.630  0.557  1.0
  O  O18  1  0.802  0.253  0.916  1.0
  O  O19  1  0.575  0.896  0.236  1.0
[/CIF]
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