The structure described by Ca2YTiO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. Y(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form YO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Y(1) atoms to form distorted OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra and corners with eight equivalent O(2)Ca2YTi tetrahedra. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one Ti(1) atom to form distorted OCa2YTi tetrahedra that share corners with four equivalent O(1)Ca2Y2 tetrahedra and corners with four equivalent O(2)Ca2YTi tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ca2YTiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.953
_cell_length_b   8.953
_cell_length_c   8.953
_cell_angle_alpha   143.967
_cell_angle_beta   142.800
_cell_angle_gamma   52.756
_symmetry_Int_Tables_number   1
_cell_volume   253.724
_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
  Ca  Ca0  1  0.928  0.912  0.041  1.0
  Ca  Ca1  1  0.629  0.613  0.041  1.0
  Ca  Ca2  1  0.072  0.113  0.984  1.0
  Ca  Ca3  1  0.371  0.412  0.984  1.0
  Y  Y4  1  0.292  0.792  0.584  1.0
  Y  Y5  1  0.708  0.292  0.499  1.0
  Ti  Ti6  1  0.000  0.487  0.487  1.0
  Ti  Ti7  1  0.500  0.987  0.487  1.0
  O  O8  1  0.335  0.190  0.026  1.0
  O  O9  1  0.665  0.690  0.855  1.0
  O  O10  1  0.953  0.315  0.526  1.0
  O  O11  1  0.047  0.573  0.362  1.0
  O  O12  1  0.289  0.815  0.362  1.0
  O  O13  1  0.711  0.073  0.526  1.0
  O  O14  1  0.272  0.256  0.494  1.0
  O  O15  1  0.728  0.222  0.984  1.0
  O  O16  1  0.738  0.722  0.494  1.0
  O  O17  1  0.262  0.756  0.984  1.0
[/CIF]
.
The structure described by Ca2YTiO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. Y(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form YO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Y(1) atoms to form distorted OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra and corners with eight equivalent O(2)Ca2YTi tetrahedra. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one Ti(1) atom to form distorted OCa2YTi tetrahedra that share corners with four equivalent O(1)Ca2Y2 tetrahedra and corners with four equivalent O(2)Ca2YTi tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ca2YTiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.953
_cell_length_b   8.953
_cell_length_c   8.953
_cell_angle_alpha   143.967
_cell_angle_beta   142.800
_cell_angle_gamma   52.756
_symmetry_Int_Tables_number   1
_cell_volume   253.724
_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
  Ca  Ca0  1  0.928  0.912  0.041  1.0
  Ca  Ca1  1  0.629  0.613  0.041  1.0
  Ca  Ca2  1  0.072  0.113  0.984  1.0
  Ca  Ca3  1  0.371  0.412  0.984  1.0
  Y  Y4  1  0.292  0.792  0.584  1.0
  Y  Y5  1  0.708  0.292  0.499  1.0
  Ti  Ti6  1  0.000  0.487  0.487  1.0
  Ti  Ti7  1  0.500  0.987  0.487  1.0
  O  O8  1  0.335  0.190  0.026  1.0
  O  O9  1  0.665  0.690  0.855  1.0
  O  O10  1  0.953  0.315  0.526  1.0
  O  O11  1  0.047  0.573  0.362  1.0
  O  O12  1  0.289  0.815  0.362  1.0
  O  O13  1  0.711  0.073  0.526  1.0
  O  O14  1  0.272  0.256  0.494  1.0
  O  O15  1  0.728  0.222  0.984  1.0
  O  O16  1  0.738  0.722  0.494  1.0
  O  O17  1  0.262  0.756  0.984  1.0
[/CIF]
.