The material structure described by Mg2WFeO6 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mg(2), one W(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), one W(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(2), one W(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), one W(1), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMg2FeW tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(2), one W(2), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMg2FeW tetrahedra. is represented by the CIF card [CIF]
data_Mg2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.336
_cell_length_c   7.892
_cell_angle_alpha   89.971
_cell_angle_beta   89.823
_cell_angle_gamma   90.105
_symmetry_Int_Tables_number   1
_cell_volume   220.313
_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  0.002  0.039  0.272  1.0
  Mg  Mg1  1  0.499  0.540  0.228  1.0
  Mg  Mg2  1  0.998  0.960  0.728  1.0
  Mg  Mg3  1  0.501  0.460  0.772  1.0
  Fe  Fe4  1  1.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  1.000  0.000  1.0
  W  W6  1  1.000  0.500  1.000  1.0
  W  W7  1  0.500  1.000  0.500  1.0
  O  O8  1  0.659  0.299  0.404  1.0
  O  O9  1  0.842  0.798  0.097  1.0
  O  O10  1  0.341  0.700  0.595  1.0
  O  O11  1  0.158  0.202  0.903  1.0
  O  O12  1  0.180  0.174  0.545  1.0
  O  O13  1  0.320  0.675  0.954  1.0
  O  O14  1  0.820  0.826  0.455  1.0
  O  O15  1  0.680  0.326  0.046  1.0
  O  O16  1  0.129  0.402  0.225  1.0
  O  O17  1  0.372  0.903  0.275  1.0
  O  O18  1  0.628  0.097  0.725  1.0
  O  O19  1  0.871  0.598  0.775  1.0
[/CIF]
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The material structure described by Mg2WFeO6 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mg(2), one W(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), one W(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(2), one W(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMg2FeW trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), one W(1), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMg2FeW tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(2), one W(2), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMg2FeW tetrahedra. is represented by the CIF card [CIF]
data_Mg2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.336
_cell_length_c   7.892
_cell_angle_alpha   89.971
_cell_angle_beta   89.823
_cell_angle_gamma   90.105
_symmetry_Int_Tables_number   1
_cell_volume   220.313
_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  0.002  0.039  0.272  1.0
  Mg  Mg1  1  0.499  0.540  0.228  1.0
  Mg  Mg2  1  0.998  0.960  0.728  1.0
  Mg  Mg3  1  0.501  0.460  0.772  1.0
  Fe  Fe4  1  1.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  1.000  0.000  1.0
  W  W6  1  1.000  0.500  1.000  1.0
  W  W7  1  0.500  1.000  0.500  1.0
  O  O8  1  0.659  0.299  0.404  1.0
  O  O9  1  0.842  0.798  0.097  1.0
  O  O10  1  0.341  0.700  0.595  1.0
  O  O11  1  0.158  0.202  0.903  1.0
  O  O12  1  0.180  0.174  0.545  1.0
  O  O13  1  0.320  0.675  0.954  1.0
  O  O14  1  0.820  0.826  0.455  1.0
  O  O15  1  0.680  0.326  0.046  1.0
  O  O16  1  0.129  0.402  0.225  1.0
  O  O17  1  0.372  0.903  0.275  1.0
  O  O18  1  0.628  0.097  0.725  1.0
  O  O19  1  0.871  0.598  0.775  1.0
[/CIF]
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