The material structure described by Mg2VWO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one W(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one V(1), and one W(1) atom to form distorted corner-sharing OMg2VW trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2VWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.211
_cell_length_c   9.222
_cell_angle_alpha   56.181
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.577
_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  0.046  0.254  0.748  1.0
  Mg  Mg1  1  0.546  0.746  0.752  1.0
  Mg  Mg2  1  0.954  0.746  0.252  1.0
  Mg  Mg3  1  0.454  0.254  0.248  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.317  0.751  0.571  1.0
  O  O9  1  0.817  0.249  0.929  1.0
  O  O10  1  0.683  0.249  0.429  1.0
  O  O11  1  0.183  0.751  0.071  1.0
  O  O12  1  0.177  0.386  0.434  1.0
  O  O13  1  0.677  0.614  0.066  1.0
  O  O14  1  0.823  0.614  0.566  1.0
  O  O15  1  0.323  0.386  0.934  1.0
  O  O16  1  0.423  0.119  0.754  1.0
  O  O17  1  0.923  0.881  0.746  1.0
  O  O18  1  0.077  0.119  0.254  1.0
  O  O19  1  0.577  0.881  0.246  1.0
[/CIF]
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The material structure described by Mg2VWO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one W(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one V(1), and one W(1) atom to form distorted corner-sharing OMg2VW trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2VWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.211
_cell_length_c   9.222
_cell_angle_alpha   56.181
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.577
_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  0.046  0.254  0.748  1.0
  Mg  Mg1  1  0.546  0.746  0.752  1.0
  Mg  Mg2  1  0.954  0.746  0.252  1.0
  Mg  Mg3  1  0.454  0.254  0.248  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.317  0.751  0.571  1.0
  O  O9  1  0.817  0.249  0.929  1.0
  O  O10  1  0.683  0.249  0.429  1.0
  O  O11  1  0.183  0.751  0.071  1.0
  O  O12  1  0.177  0.386  0.434  1.0
  O  O13  1  0.677  0.614  0.066  1.0
  O  O14  1  0.823  0.614  0.566  1.0
  O  O15  1  0.323  0.386  0.934  1.0
  O  O16  1  0.423  0.119  0.754  1.0
  O  O17  1  0.923  0.881  0.746  1.0
  O  O18  1  0.077  0.119  0.254  1.0
  O  O19  1  0.577  0.881  0.246  1.0
[/CIF]
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