The compound described by Mg(WO3)4 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the second W site, W(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Mg(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_Mg(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   7.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   226.278
_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  0.250  0.750  0.500  1.0
  W  W1  1  0.250  0.250  0.754  1.0
  W  W2  1  0.750  0.750  0.752  1.0
  W  W3  1  0.750  0.750  0.246  1.0
  W  W4  1  0.250  0.250  0.248  1.0
  O  O5  1  0.430  0.567  0.725  1.0
  O  O6  1  0.938  0.450  0.752  1.0
  O  O7  1  0.562  0.050  0.752  1.0
  O  O8  1  0.070  0.933  0.725  1.0
  O  O9  1  0.250  0.250  0.005  1.0
  O  O10  1  0.750  0.750  0.503  1.0
  O  O11  1  0.750  0.750  0.995  1.0
  O  O12  1  0.250  0.250  0.497  1.0
  O  O13  1  0.950  0.062  0.248  1.0
  O  O14  1  0.433  0.930  0.275  1.0
  O  O15  1  0.067  0.570  0.275  1.0
  O  O16  1  0.550  0.438  0.248  1.0
[/CIF]
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The compound described by Mg(WO3)4 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the second W site, W(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Mg(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_Mg(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   7.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   226.278
_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  0.250  0.750  0.500  1.0
  W  W1  1  0.250  0.250  0.754  1.0
  W  W2  1  0.750  0.750  0.752  1.0
  W  W3  1  0.750  0.750  0.246  1.0
  W  W4  1  0.250  0.250  0.248  1.0
  O  O5  1  0.430  0.567  0.725  1.0
  O  O6  1  0.938  0.450  0.752  1.0
  O  O7  1  0.562  0.050  0.752  1.0
  O  O8  1  0.070  0.933  0.725  1.0
  O  O9  1  0.250  0.250  0.005  1.0
  O  O10  1  0.750  0.750  0.503  1.0
  O  O11  1  0.750  0.750  0.995  1.0
  O  O12  1  0.250  0.250  0.497  1.0
  O  O13  1  0.950  0.062  0.248  1.0
  O  O14  1  0.433  0.930  0.275  1.0
  O  O15  1  0.067  0.570  0.275  1.0
  O  O16  1  0.550  0.438  0.248  1.0
[/CIF]
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