The crystal structure described by DyTiO3Cl crystallizes in the monoclinic C2/m space group. Dy(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent Cl(1) atoms. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Dy(1) and three equivalent Ti(1) atoms to form distorted ODyTi3 trigonal pyramids that share corners with four equivalent Cl(1)Dy4 tetrahedra, corners with two equivalent O(1)DyTi3 trigonal pyramids, and edges with two equivalent O(1)DyTi3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Dy(1) and one Ti(1) atom. Cl(1) is bonded to four equivalent Dy(1) atoms to form distorted ClDy4 tetrahedra that share corners with six equivalent Cl(1)Dy4 tetrahedra, corners with four equivalent O(1)DyTi3 trigonal pyramids, and edges with three equivalent Cl(1)Dy4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyTiClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.297
_cell_length_c   9.906
_cell_angle_alpha   74.457
_cell_angle_beta   74.457
_cell_angle_gamma   43.457
_symmetry_Int_Tables_number   1
_cell_volume   183.054
_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
  Dy  Dy0  1  0.778  0.778  0.205  1.0
  Dy  Dy1  1  0.222  0.222  0.795  1.0
  Ti  Ti2  1  0.619  0.619  0.570  1.0
  Ti  Ti3  1  0.381  0.381  0.430  1.0
  Cl  Cl4  1  0.114  0.114  0.095  1.0
  Cl  Cl5  1  0.886  0.886  0.905  1.0
  O  O6  1  0.168  0.168  0.565  1.0
  O  O7  1  0.578  0.578  0.375  1.0
  O  O8  1  0.651  0.651  0.748  1.0
  O  O9  1  0.349  0.349  0.252  1.0
  O  O10  1  0.832  0.832  0.435  1.0
  O  O11  1  0.422  0.422  0.625  1.0
[/CIF]
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The crystal structure described by DyTiO3Cl crystallizes in the monoclinic C2/m space group. Dy(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent Cl(1) atoms. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Dy(1) and three equivalent Ti(1) atoms to form distorted ODyTi3 trigonal pyramids that share corners with four equivalent Cl(1)Dy4 tetrahedra, corners with two equivalent O(1)DyTi3 trigonal pyramids, and edges with two equivalent O(1)DyTi3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Dy(1) and one Ti(1) atom. Cl(1) is bonded to four equivalent Dy(1) atoms to form distorted ClDy4 tetrahedra that share corners with six equivalent Cl(1)Dy4 tetrahedra, corners with four equivalent O(1)DyTi3 trigonal pyramids, and edges with three equivalent Cl(1)Dy4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyTiClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.297
_cell_length_c   9.906
_cell_angle_alpha   74.457
_cell_angle_beta   74.457
_cell_angle_gamma   43.457
_symmetry_Int_Tables_number   1
_cell_volume   183.054
_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
  Dy  Dy0  1  0.778  0.778  0.205  1.0
  Dy  Dy1  1  0.222  0.222  0.795  1.0
  Ti  Ti2  1  0.619  0.619  0.570  1.0
  Ti  Ti3  1  0.381  0.381  0.430  1.0
  Cl  Cl4  1  0.114  0.114  0.095  1.0
  Cl  Cl5  1  0.886  0.886  0.905  1.0
  O  O6  1  0.168  0.168  0.565  1.0
  O  O7  1  0.578  0.578  0.375  1.0
  O  O8  1  0.651  0.651  0.748  1.0
  O  O9  1  0.349  0.349  0.252  1.0
  O  O10  1  0.832  0.832  0.435  1.0
  O  O11  1  0.422  0.422  0.625  1.0
[/CIF]
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