The crystal structure described by MgV2MoO8 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a distorted tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(2) atoms. Mo(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing MoO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent V(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_MgV2MoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.721
_cell_length_b   5.263
_cell_length_c   9.773
_cell_angle_alpha   90.001
_cell_angle_beta   101.034
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   187.840
_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  0.000  0.623  0.500  1.0
  V  V1  1  0.202  0.084  0.374  1.0
  V  V2  1  0.798  0.084  0.626  1.0
  Mo  Mo3  1  1.000  0.030  1.000  1.0
  O  O4  1  1.000  0.355  1.000  1.0
  O  O5  1  0.281  0.958  0.580  1.0
  O  O6  1  0.099  0.957  0.197  1.0
  O  O7  1  0.787  0.407  0.624  1.0
  O  O8  1  0.719  0.958  0.420  1.0
  O  O9  1  0.213  0.407  0.376  1.0
  O  O10  1  0.901  0.957  0.803  1.0
  O  O11  1  0.500  0.937  1.000  1.0
[/CIF]
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The crystal structure described by MgV2MoO8 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a distorted tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(2) atoms. Mo(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing MoO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent V(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_MgV2MoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.721
_cell_length_b   5.263
_cell_length_c   9.773
_cell_angle_alpha   90.001
_cell_angle_beta   101.034
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   187.840
_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  0.000  0.623  0.500  1.0
  V  V1  1  0.202  0.084  0.374  1.0
  V  V2  1  0.798  0.084  0.626  1.0
  Mo  Mo3  1  1.000  0.030  1.000  1.0
  O  O4  1  1.000  0.355  1.000  1.0
  O  O5  1  0.281  0.958  0.580  1.0
  O  O6  1  0.099  0.957  0.197  1.0
  O  O7  1  0.787  0.407  0.624  1.0
  O  O8  1  0.719  0.958  0.420  1.0
  O  O9  1  0.213  0.407  0.376  1.0
  O  O10  1  0.901  0.957  0.803  1.0
  O  O11  1  0.500  0.937  1.000  1.0
[/CIF]
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