The structure described by TiNbCrO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ti(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), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_TiNbCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   4.704
_cell_length_c   9.086
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   201.077
_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  0.833  1.0
  Cr  Cr1  1  1.000  1.000  0.333  1.0
  Nb  Nb2  1  0.500  0.500  0.166  1.0
  Nb  Nb3  1  0.000  0.000  0.666  1.0
  O  O4  1  0.195  0.806  0.835  1.0
  O  O5  1  0.805  0.194  0.835  1.0
  O  O6  1  0.694  0.694  0.335  1.0
  O  O7  1  0.306  0.306  0.335  1.0
  O  O8  1  0.199  0.800  0.502  1.0
  O  O9  1  0.801  0.200  0.502  1.0
  O  O10  1  0.700  0.700  0.002  1.0
  O  O11  1  0.300  0.300  0.002  1.0
  O  O12  1  0.194  0.806  0.163  1.0
  O  O13  1  0.806  0.194  0.163  1.0
  O  O14  1  0.694  0.694  0.663  1.0
  O  O15  1  0.306  0.306  0.663  1.0
  Ti  Ti16  1  0.500  0.500  0.502  1.0
  Ti  Ti17  1  0.000  0.000  0.002  1.0
[/CIF]
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The structure described by TiNbCrO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ti(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), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_TiNbCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   4.704
_cell_length_c   9.086
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   201.077
_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  0.833  1.0
  Cr  Cr1  1  1.000  1.000  0.333  1.0
  Nb  Nb2  1  0.500  0.500  0.166  1.0
  Nb  Nb3  1  0.000  0.000  0.666  1.0
  O  O4  1  0.195  0.806  0.835  1.0
  O  O5  1  0.805  0.194  0.835  1.0
  O  O6  1  0.694  0.694  0.335  1.0
  O  O7  1  0.306  0.306  0.335  1.0
  O  O8  1  0.199  0.800  0.502  1.0
  O  O9  1  0.801  0.200  0.502  1.0
  O  O10  1  0.700  0.700  0.002  1.0
  O  O11  1  0.300  0.300  0.002  1.0
  O  O12  1  0.194  0.806  0.163  1.0
  O  O13  1  0.806  0.194  0.163  1.0
  O  O14  1  0.694  0.694  0.663  1.0
  O  O15  1  0.306  0.306  0.663  1.0
  Ti  Ti16  1  0.500  0.500  0.502  1.0
  Ti  Ti17  1  0.000  0.000  0.002  1.0
[/CIF]
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