The material described by MgV2(MoO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(3) and four O(1,1) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra and faces with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(3); two O(1,1); and two O(2,2) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent Mo(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. Mo(1) is bonded to two O(1,1) and two O(2,2) atoms to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. 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 in a linear geometry to one V(1) and one Mo(1) atom. In the third 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 fourth O site, O(2) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. is represented by the CIF file [CIF]
data_MgV2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   6.936
_cell_length_c   6.928
_cell_angle_alpha   90.576
_cell_angle_beta   88.685
_cell_angle_gamma   88.779
_symmetry_Int_Tables_number   1
_cell_volume   249.415
_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  0.995  0.997  0.000  1.0
  V  V1  1  0.764  0.244  0.246  1.0
  V  V2  1  0.227  0.751  0.754  1.0
  Mo  Mo3  1  0.495  0.247  0.750  1.0
  Mo  Mo4  1  0.496  0.747  0.250  1.0
  O  O5  1  0.721  0.214  0.954  1.0
  O  O6  1  0.655  0.509  0.234  1.0
  O  O7  1  0.721  0.952  0.216  1.0
  O  O8  1  0.655  0.231  0.511  1.0
  O  O9  1  0.085  0.218  0.220  1.0
  O  O10  1  0.905  0.777  0.780  1.0
  O  O11  1  0.336  0.764  0.489  1.0
  O  O12  1  0.270  0.043  0.784  1.0
  O  O13  1  0.336  0.486  0.766  1.0
  O  O14  1  0.270  0.781  0.046  1.0
[/CIF]
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The material described by MgV2(MoO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(3) and four O(1,1) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra and faces with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(3); two O(1,1); and two O(2,2) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent Mo(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. Mo(1) is bonded to two O(1,1) and two O(2,2) atoms to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. 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 in a linear geometry to one V(1) and one Mo(1) atom. In the third 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 fourth O site, O(2) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. is represented by the CIF file [CIF]
data_MgV2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   6.936
_cell_length_c   6.928
_cell_angle_alpha   90.576
_cell_angle_beta   88.685
_cell_angle_gamma   88.779
_symmetry_Int_Tables_number   1
_cell_volume   249.415
_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  0.995  0.997  0.000  1.0
  V  V1  1  0.764  0.244  0.246  1.0
  V  V2  1  0.227  0.751  0.754  1.0
  Mo  Mo3  1  0.495  0.247  0.750  1.0
  Mo  Mo4  1  0.496  0.747  0.250  1.0
  O  O5  1  0.721  0.214  0.954  1.0
  O  O6  1  0.655  0.509  0.234  1.0
  O  O7  1  0.721  0.952  0.216  1.0
  O  O8  1  0.655  0.231  0.511  1.0
  O  O9  1  0.085  0.218  0.220  1.0
  O  O10  1  0.905  0.777  0.780  1.0
  O  O11  1  0.336  0.764  0.489  1.0
  O  O12  1  0.270  0.043  0.784  1.0
  O  O13  1  0.336  0.486  0.766  1.0
  O  O14  1  0.270  0.781  0.046  1.0
[/CIF]
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