The material described by MgVMoO5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-26°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(1), and one Mo(1) atom to form distorted OMg2VMo trigonal pyramids that share  a cornercorner with one O(5)MgVMo2 trigonal pyramid, corners with two equivalent O(1)Mg2VMo trigonal pyramids, and edges with two equivalent O(5)MgVMo2 trigonal pyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), two equivalent V(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), and two equivalent Mo(1) atoms to form OMgVMo2 trigonal pyramids that share  a cornercorner with one O(1)Mg2VMo trigonal pyramid, corners with two equivalent O(5)MgVMo2 trigonal pyramids, and edges with two equivalent O(1)Mg2VMo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   5.323
_cell_length_c   5.321
_cell_angle_alpha   88.664
_cell_angle_beta   112.075
_cell_angle_gamma   68.029
_symmetry_Int_Tables_number   1
_cell_volume   95.427
_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  0.409  0.860  0.535  1.0
  V  V1  1  0.856  0.609  0.179  1.0
  Mo  Mo2  1  0.283  0.374  0.799  1.0
  O  O3  1  0.949  0.763  0.517  1.0
  O  O4  1  0.343  0.603  0.145  1.0
  O  O5  1  0.554  0.977  0.940  1.0
  O  O6  1  0.142  0.265  0.406  1.0
  O  O7  1  0.749  0.462  0.816  1.0
[/CIF]
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The material described by MgVMoO5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-26°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(1), and one Mo(1) atom to form distorted OMg2VMo trigonal pyramids that share  a cornercorner with one O(5)MgVMo2 trigonal pyramid, corners with two equivalent O(1)Mg2VMo trigonal pyramids, and edges with two equivalent O(5)MgVMo2 trigonal pyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), two equivalent V(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), and two equivalent Mo(1) atoms to form OMgVMo2 trigonal pyramids that share  a cornercorner with one O(1)Mg2VMo trigonal pyramid, corners with two equivalent O(5)MgVMo2 trigonal pyramids, and edges with two equivalent O(1)Mg2VMo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   5.323
_cell_length_c   5.321
_cell_angle_alpha   88.664
_cell_angle_beta   112.075
_cell_angle_gamma   68.029
_symmetry_Int_Tables_number   1
_cell_volume   95.427
_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  0.409  0.860  0.535  1.0
  V  V1  1  0.856  0.609  0.179  1.0
  Mo  Mo2  1  0.283  0.374  0.799  1.0
  O  O3  1  0.949  0.763  0.517  1.0
  O  O4  1  0.343  0.603  0.145  1.0
  O  O5  1  0.554  0.977  0.940  1.0
  O  O6  1  0.142  0.265  0.406  1.0
  O  O7  1  0.749  0.462  0.816  1.0
[/CIF]
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