The structure described by CrTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ta2CrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.698
_cell_length_b   4.699
_cell_length_c   9.130
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   201.553
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  1.000  0.000  1.0
  O  O2  1  0.703  0.297  1.000  1.0
  O  O3  1  0.796  0.797  0.500  1.0
  O  O4  1  0.203  0.203  0.500  1.0
  O  O5  1  0.297  0.703  1.000  1.0
  O  O6  1  0.698  0.302  0.667  1.0
  O  O7  1  0.802  0.802  0.167  1.0
  O  O8  1  0.198  0.198  0.167  1.0
  O  O9  1  0.198  0.198  0.833  1.0
  O  O10  1  0.802  0.802  0.833  1.0
  O  O11  1  0.302  0.698  0.667  1.0
  O  O12  1  0.698  0.302  0.333  1.0
  O  O13  1  0.302  0.698  0.333  1.0
  Ta  Ta14  1  0.500  0.500  0.838  1.0
  Ta  Ta15  1  0.000  0.000  0.338  1.0
  Ta  Ta16  1  0.500  0.500  0.162  1.0
  Ta  Ta17  1  0.000  0.000  0.662  1.0
[/CIF]
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The structure described by CrTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ta2CrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.698
_cell_length_b   4.699
_cell_length_c   9.130
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   201.553
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  1.000  0.000  1.0
  O  O2  1  0.703  0.297  1.000  1.0
  O  O3  1  0.796  0.797  0.500  1.0
  O  O4  1  0.203  0.203  0.500  1.0
  O  O5  1  0.297  0.703  1.000  1.0
  O  O6  1  0.698  0.302  0.667  1.0
  O  O7  1  0.802  0.802  0.167  1.0
  O  O8  1  0.198  0.198  0.167  1.0
  O  O9  1  0.198  0.198  0.833  1.0
  O  O10  1  0.802  0.802  0.833  1.0
  O  O11  1  0.302  0.698  0.667  1.0
  O  O12  1  0.698  0.302  0.333  1.0
  O  O13  1  0.302  0.698  0.333  1.0
  Ta  Ta14  1  0.500  0.500  0.838  1.0
  Ta  Ta15  1  0.000  0.000  0.338  1.0
  Ta  Ta16  1  0.500  0.500  0.162  1.0
  Ta  Ta17  1  0.000  0.000  0.662  1.0
[/CIF]
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