The compound described by MgVMoO5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one Mo(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-73°. 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 distorted VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-29°. 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 MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O5 trigonal bipyramids, edges with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-30°. There are five 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 Mo(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent V(1), and one Mo(1) atom to form OMgV2Mo trigonal pyramids that share  a cornercorner with one O(4)Mg2VMo trigonal pyramid, corners with two equivalent O(2)MgV2Mo trigonal pyramids, and edges with two equivalent O(4)Mg2VMo trigonal pyramids. 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 to two equivalent Mg(1), one V(1), and one Mo(1) atom to form OMg2VMo trigonal pyramids that share  a cornercorner with one O(2)MgV2Mo trigonal pyramid, corners with two equivalent O(4)Mg2VMo trigonal pyramids, and edges with two equivalent O(2)MgV2Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.878
_cell_length_b   5.368
_cell_length_c   5.595
_cell_angle_alpha   86.731
_cell_angle_beta   110.272
_cell_angle_gamma   68.833
_symmetry_Int_Tables_number   1
_cell_volume   99.658
_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  0.693  0.142  0.383  1.0
  V  V1  1  0.860  0.628  0.203  1.0
  Mo  Mo2  1  0.285  0.382  0.807  1.0
  O  O3  1  0.957  0.740  0.509  1.0
  O  O4  1  0.379  0.546  0.159  1.0
  O  O5  1  0.582  0.013  0.032  1.0
  O  O6  1  0.173  0.249  0.450  1.0
  O  O7  1  0.770  0.463  0.857  1.0
[/CIF]
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The compound described by MgVMoO5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one Mo(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-73°. 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 distorted VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-29°. 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 MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O5 trigonal bipyramids, edges with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-30°. There are five 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 Mo(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent V(1), and one Mo(1) atom to form OMgV2Mo trigonal pyramids that share  a cornercorner with one O(4)Mg2VMo trigonal pyramid, corners with two equivalent O(2)MgV2Mo trigonal pyramids, and edges with two equivalent O(4)Mg2VMo trigonal pyramids. 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 to two equivalent Mg(1), one V(1), and one Mo(1) atom to form OMg2VMo trigonal pyramids that share  a cornercorner with one O(2)MgV2Mo trigonal pyramid, corners with two equivalent O(4)Mg2VMo trigonal pyramids, and edges with two equivalent O(2)MgV2Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.878
_cell_length_b   5.368
_cell_length_c   5.595
_cell_angle_alpha   86.731
_cell_angle_beta   110.272
_cell_angle_gamma   68.833
_symmetry_Int_Tables_number   1
_cell_volume   99.658
_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  0.693  0.142  0.383  1.0
  V  V1  1  0.860  0.628  0.203  1.0
  Mo  Mo2  1  0.285  0.382  0.807  1.0
  O  O3  1  0.957  0.740  0.509  1.0
  O  O4  1  0.379  0.546  0.159  1.0
  O  O5  1  0.582  0.013  0.032  1.0
  O  O6  1  0.173  0.249  0.450  1.0
  O  O7  1  0.770  0.463  0.857  1.0
[/CIF]
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