The compound described by CrTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_TaCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.094
_cell_length_b   4.679
_cell_length_c   4.679
_cell_angle_alpha   91.147
_cell_angle_beta   89.981
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   67.706
_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
  Cr  Cr0  1  1.000  0.498  0.497  1.0
  O  O1  1  0.000  0.191  0.804  1.0
  O  O2  1  1.000  0.803  0.190  1.0
  O  O3  1  0.500  0.299  0.300  1.0
  O  O4  1  0.500  0.696  0.695  1.0
  Ta  Ta5  1  0.500  0.998  0.997  1.0
[/CIF]
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The compound described by CrTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_TaCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.094
_cell_length_b   4.679
_cell_length_c   4.679
_cell_angle_alpha   91.147
_cell_angle_beta   89.981
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   67.706
_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
  Cr  Cr0  1  1.000  0.498  0.497  1.0
  O  O1  1  0.000  0.191  0.804  1.0
  O  O2  1  1.000  0.803  0.190  1.0
  O  O3  1  0.500  0.299  0.300  1.0
  O  O4  1  0.500  0.696  0.695  1.0
  Ta  Ta5  1  0.500  0.998  0.997  1.0
[/CIF]
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