The compound described by Ta2Mo2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent Mo(1) atoms. In the second Ta site, Ta(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form a mixture of corner and face-sharing TaO12 cuboctahedra. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Ta(1) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ta(2) and two equivalent Mo(1) atoms to form a mixture of edge and corner-sharing OTa2Mo2 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ta(2) atoms. is represented by the CIF card [CIF]
data_Ta2Mo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.447
_cell_length_b   3.447
_cell_length_c   8.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.657
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.500  0.500  0.188  1.0
  Mo  Mo3  1  0.500  0.500  0.812  1.0
  O  O4  1  0.500  0.000  0.321  1.0
  O  O5  1  0.500  0.000  0.679  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.321  1.0
  O  O8  1  0.000  0.500  0.679  1.0
[/CIF]
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The compound described by Ta2Mo2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent Mo(1) atoms. In the second Ta site, Ta(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form a mixture of corner and face-sharing TaO12 cuboctahedra. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Ta(1) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ta(2) and two equivalent Mo(1) atoms to form a mixture of edge and corner-sharing OTa2Mo2 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ta(2) atoms. is represented by the CIF card [CIF]
data_Ta2Mo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.447
_cell_length_b   3.447
_cell_length_c   8.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.657
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.500  0.500  0.188  1.0
  Mo  Mo3  1  0.500  0.500  0.812  1.0
  O  O4  1  0.500  0.000  0.321  1.0
  O  O5  1  0.500  0.000  0.679  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.321  1.0
  O  O8  1  0.000  0.500  0.679  1.0
[/CIF]
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