The compound described by Mg2VWO6 is Corundum-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, corners with six equivalent Mg(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent W(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(2)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent Mg(2)O6 octahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2VWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.205
_cell_length_c   5.551
_cell_angle_alpha   62.586
_cell_angle_beta   62.426
_cell_angle_gamma   60.767
_symmetry_Int_Tables_number   1
_cell_volume   110.252
_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  0.771  0.790  0.643  1.0
  Mg  Mg1  1  0.266  0.302  0.141  1.0
  O  O2  1  0.187  0.895  0.296  1.0
  O  O3  1  0.712  0.105  0.811  1.0
  O  O4  1  0.360  0.717  0.810  1.0
  O  O5  1  0.089  0.386  0.806  1.0
  O  O6  1  0.864  0.613  0.308  1.0
  O  O7  1  0.587  0.219  0.309  1.0
  V  V8  1  0.478  0.500  0.518  1.0
  W  W9  1  0.975  0.999  0.024  1.0
[/CIF]
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The compound described by Mg2VWO6 is Corundum-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, corners with six equivalent Mg(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent W(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(2)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent Mg(2)O6 octahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one V(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2VWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.205
_cell_length_c   5.551
_cell_angle_alpha   62.586
_cell_angle_beta   62.426
_cell_angle_gamma   60.767
_symmetry_Int_Tables_number   1
_cell_volume   110.252
_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  0.771  0.790  0.643  1.0
  Mg  Mg1  1  0.266  0.302  0.141  1.0
  O  O2  1  0.187  0.895  0.296  1.0
  O  O3  1  0.712  0.105  0.811  1.0
  O  O4  1  0.360  0.717  0.810  1.0
  O  O5  1  0.089  0.386  0.806  1.0
  O  O6  1  0.864  0.613  0.308  1.0
  O  O7  1  0.587  0.219  0.309  1.0
  V  V8  1  0.478  0.500  0.518  1.0
  W  W9  1  0.975  0.999  0.024  1.0
[/CIF]
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