The crystal structure described by Ti2CdO6 crystallizes in the triclinic P1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(5) atom to form distorted corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(6), one O(7), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(8) atom to form corner-sharing TiO5 trigonal bipyramids. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(4), and one O(7) atom. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Cd(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ti(2) and one Cd(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(3) and one Ti(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Cd(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(4), and one Cd(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Cd(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Cd(1), and one O(9) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ti(4) and one O(10) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Cd(2), and one O(7) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1), one Cd(2), and one O(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Cd(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Cd(1) atom. is represented by the CIF card [CIF]
data_Ti2CdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.734
_cell_length_b   6.165
_cell_length_c   7.061
_cell_angle_alpha   87.958
_cell_angle_beta   85.059
_cell_angle_gamma   89.417
_symmetry_Int_Tables_number   1
_cell_volume   248.540
_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
  Ti  Ti0  1  0.943  0.907  0.002  1.0
  Ti  Ti1  1  0.011  0.057  0.483  1.0
  Ti  Ti2  1  0.581  0.536  0.484  1.0
  Ti  Ti3  1  0.439  0.573  0.008  1.0
  Cd  Cd4  1  0.025  0.527  0.738  1.0
  Cd  Cd5  1  0.502  0.041  0.268  1.0
  O  O6  1  0.111  0.638  0.019  1.0
  O  O7  1  0.280  0.173  0.512  1.0
  O  O8  1  0.424  0.511  0.268  1.0
  O  O9  1  0.407  0.569  0.715  1.0
  O  O10  1  0.629  0.810  0.021  1.0
  O  O11  1  0.734  0.788  0.448  1.0
  O  O12  1  0.793  0.307  0.607  1.0
  O  O13  1  0.639  0.326  0.933  1.0
  O  O14  1  0.821  0.304  0.386  1.0
  O  O15  1  0.794  0.214  0.059  1.0
  O  O16  1  0.104  0.992  0.217  1.0
  O  O17  1  0.001  0.919  0.741  1.0
[/CIF]
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The crystal structure described by Ti2CdO6 crystallizes in the triclinic P1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(5) atom to form distorted corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(6), one O(7), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(8) atom to form corner-sharing TiO5 trigonal bipyramids. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(4), and one O(7) atom. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Cd(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ti(2) and one Cd(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(3) and one Ti(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Cd(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(4), and one Cd(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Cd(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Cd(1), and one O(9) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ti(4) and one O(10) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Cd(2), and one O(7) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1), one Cd(2), and one O(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Cd(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Cd(1) atom. is represented by the CIF card [CIF]
data_Ti2CdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.734
_cell_length_b   6.165
_cell_length_c   7.061
_cell_angle_alpha   87.958
_cell_angle_beta   85.059
_cell_angle_gamma   89.417
_symmetry_Int_Tables_number   1
_cell_volume   248.540
_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
  Ti  Ti0  1  0.943  0.907  0.002  1.0
  Ti  Ti1  1  0.011  0.057  0.483  1.0
  Ti  Ti2  1  0.581  0.536  0.484  1.0
  Ti  Ti3  1  0.439  0.573  0.008  1.0
  Cd  Cd4  1  0.025  0.527  0.738  1.0
  Cd  Cd5  1  0.502  0.041  0.268  1.0
  O  O6  1  0.111  0.638  0.019  1.0
  O  O7  1  0.280  0.173  0.512  1.0
  O  O8  1  0.424  0.511  0.268  1.0
  O  O9  1  0.407  0.569  0.715  1.0
  O  O10  1  0.629  0.810  0.021  1.0
  O  O11  1  0.734  0.788  0.448  1.0
  O  O12  1  0.793  0.307  0.607  1.0
  O  O13  1  0.639  0.326  0.933  1.0
  O  O14  1  0.821  0.304  0.386  1.0
  O  O15  1  0.794  0.214  0.059  1.0
  O  O16  1  0.104  0.992  0.217  1.0
  O  O17  1  0.001  0.919  0.741  1.0
[/CIF]
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