The material described by MgFe2(WO4)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with four equivalent W(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and faces with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-58°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one W(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one W(1), one W(2), and one Fe(1) atom to form distorted corner-sharing OMgFeW2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.198
_cell_length_b   5.037
_cell_length_c   5.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.109
_symmetry_Int_Tables_number   1
_cell_volume   156.417
_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  0.500  0.250  0.079  1.0
  Fe  Fe1  1  0.500  0.750  0.376  1.0
  Fe  Fe2  1  0.500  0.250  0.631  1.0
  W  W3  1  0.000  0.750  0.835  1.0
  W  W4  1  0.000  0.250  0.175  1.0
  O  O5  1  0.720  0.390  0.360  1.0
  O  O6  1  0.280  0.110  0.360  1.0
  O  O7  1  0.258  0.599  0.630  1.0
  O  O8  1  0.742  0.901  0.630  1.0
  O  O9  1  0.785  0.436  0.905  1.0
  O  O10  1  0.215  0.064  0.905  1.0
  O  O11  1  0.221  0.553  0.104  1.0
  O  O12  1  0.779  0.947  0.104  1.0
[/CIF]
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The material described by MgFe2(WO4)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with four equivalent W(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and faces with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-58°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one W(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one W(1), one W(2), and one Fe(1) atom to form distorted corner-sharing OMgFeW2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.198
_cell_length_b   5.037
_cell_length_c   5.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.109
_symmetry_Int_Tables_number   1
_cell_volume   156.417
_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  0.500  0.250  0.079  1.0
  Fe  Fe1  1  0.500  0.750  0.376  1.0
  Fe  Fe2  1  0.500  0.250  0.631  1.0
  W  W3  1  0.000  0.750  0.835  1.0
  W  W4  1  0.000  0.250  0.175  1.0
  O  O5  1  0.720  0.390  0.360  1.0
  O  O6  1  0.280  0.110  0.360  1.0
  O  O7  1  0.258  0.599  0.630  1.0
  O  O8  1  0.742  0.901  0.630  1.0
  O  O9  1  0.785  0.436  0.905  1.0
  O  O10  1  0.215  0.064  0.905  1.0
  O  O11  1  0.221  0.553  0.104  1.0
  O  O12  1  0.779  0.947  0.104  1.0
[/CIF]
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