The crystal structure described by CaTi2F10 crystallizes in the monoclinic C2 space group. Ca(1) is bonded to one F(3), two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent Ti(1)F6 octahedra and edges with two equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra, corners with two equivalent Ca(1)F7 pentagonal bipyramids, and  an edgeedge with one Ca(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 20-27°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ca(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ti(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ti(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Ca(1) and one Ti(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaTi2F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.635
_cell_length_b   5.635
_cell_length_c   7.795
_cell_angle_alpha   69.546
_cell_angle_beta   69.546
_cell_angle_gamma   72.016
_symmetry_Int_Tables_number   1
_cell_volume   212.335
_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
  Ca  Ca0  1  0.543  0.457  0.000  1.0
  Ti  Ti1  1  0.009  0.004  0.743  1.0
  Ti  Ti2  1  0.996  0.991  0.257  1.0
  F  F3  1  0.796  0.752  0.864  1.0
  F  F4  1  0.248  0.204  0.136  1.0
  F  F5  1  0.209  0.238  0.632  1.0
  F  F6  1  0.762  0.791  0.368  1.0
  F  F7  1  0.932  0.068  0.000  1.0
  F  F8  1  0.054  0.946  0.500  1.0
  F  F9  1  0.738  0.293  0.258  1.0
  F  F10  1  0.707  0.262  0.742  1.0
  F  F11  1  0.262  0.716  0.192  1.0
  F  F12  1  0.284  0.738  0.808  1.0
[/CIF]
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The crystal structure described by CaTi2F10 crystallizes in the monoclinic C2 space group. Ca(1) is bonded to one F(3), two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent Ti(1)F6 octahedra and edges with two equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra, corners with two equivalent Ca(1)F7 pentagonal bipyramids, and  an edgeedge with one Ca(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 20-27°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ca(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ti(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ti(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Ca(1) and one Ti(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaTi2F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.635
_cell_length_b   5.635
_cell_length_c   7.795
_cell_angle_alpha   69.546
_cell_angle_beta   69.546
_cell_angle_gamma   72.016
_symmetry_Int_Tables_number   1
_cell_volume   212.335
_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
  Ca  Ca0  1  0.543  0.457  0.000  1.0
  Ti  Ti1  1  0.009  0.004  0.743  1.0
  Ti  Ti2  1  0.996  0.991  0.257  1.0
  F  F3  1  0.796  0.752  0.864  1.0
  F  F4  1  0.248  0.204  0.136  1.0
  F  F5  1  0.209  0.238  0.632  1.0
  F  F6  1  0.762  0.791  0.368  1.0
  F  F7  1  0.932  0.068  0.000  1.0
  F  F8  1  0.054  0.946  0.500  1.0
  F  F9  1  0.738  0.293  0.258  1.0
  F  F10  1  0.707  0.262  0.742  1.0
  F  F11  1  0.262  0.716  0.192  1.0
  F  F12  1  0.284  0.738  0.808  1.0
[/CIF]
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