The material described by MgV2(MoO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent O(1) atoms to form MoO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   6.610
_cell_length_c   6.612
_cell_angle_alpha   90.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.176
_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  1.000  0.750  0.250  1.0
  V  V1  1  0.809  0.250  0.250  1.0
  V  V2  1  0.191  0.750  0.750  1.0
  Mo  Mo3  1  0.500  0.250  0.750  1.0
  Mo  Mo4  1  0.500  0.750  0.250  1.0
  O  O5  1  0.680  0.244  0.970  1.0
  O  O6  1  0.743  0.547  0.245  1.0
  O  O7  1  0.743  0.953  0.255  1.0
  O  O8  1  0.680  0.256  0.530  1.0
  O  O9  1  0.092  0.250  0.250  1.0
  O  O10  1  0.908  0.750  0.750  1.0
  O  O11  1  0.256  0.745  0.453  1.0
  O  O12  1  0.321  0.030  0.745  1.0
  O  O13  1  0.321  0.470  0.755  1.0
  O  O14  1  0.256  0.755  0.047  1.0
[/CIF]
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The material described by MgV2(MoO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent O(1) atoms to form MoO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   6.610
_cell_length_c   6.612
_cell_angle_alpha   90.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.176
_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  1.000  0.750  0.250  1.0
  V  V1  1  0.809  0.250  0.250  1.0
  V  V2  1  0.191  0.750  0.750  1.0
  Mo  Mo3  1  0.500  0.250  0.750  1.0
  Mo  Mo4  1  0.500  0.750  0.250  1.0
  O  O5  1  0.680  0.244  0.970  1.0
  O  O6  1  0.743  0.547  0.245  1.0
  O  O7  1  0.743  0.953  0.255  1.0
  O  O8  1  0.680  0.256  0.530  1.0
  O  O9  1  0.092  0.250  0.250  1.0
  O  O10  1  0.908  0.750  0.750  1.0
  O  O11  1  0.256  0.745  0.453  1.0
  O  O12  1  0.321  0.030  0.745  1.0
  O  O13  1  0.321  0.470  0.755  1.0
  O  O14  1  0.256  0.755  0.047  1.0
[/CIF]
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