The material described by (ThEr2F10)2O2 crystallizes in the tetragonal I4/mmm space group. The structure consists of four water atoms inside a ThEr2F10 framework. In the ThEr2F10 framework, Th(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(3) atoms. Er(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Th(1) and two equivalent Er(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Er(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Th(1) and one Er(1) atom. is represented by the CIF file [CIF]
data_Er2ThOF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.434
_cell_length_b   8.434
_cell_length_c   8.434
_cell_angle_alpha   121.971
_cell_angle_beta   121.971
_cell_angle_gamma   86.619
_symmetry_Int_Tables_number   1
_cell_volume   410.854
_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
  Er  Er0  1  0.241  0.759  0.000  1.0
  Er  Er1  1  0.241  0.241  0.482  1.0
  Er  Er2  1  0.759  0.241  0.000  1.0
  Er  Er3  1  0.759  0.759  0.518  1.0
  Th  Th4  1  0.759  0.759  0.000  1.0
  Th  Th5  1  0.241  0.241  0.000  1.0
  O  O6  1  0.250  0.750  0.500  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  F  F8  1  0.117  0.895  0.222  1.0
  F  F9  1  0.105  0.326  0.222  1.0
  F  F10  1  0.105  0.883  0.778  1.0
  F  F11  1  0.674  0.895  0.778  1.0
  F  F12  1  0.883  0.105  0.778  1.0
  F  F13  1  0.895  0.674  0.778  1.0
  F  F14  1  0.895  0.117  0.222  1.0
  F  F15  1  0.326  0.105  0.222  1.0
  F  F16  1  0.184  0.500  0.684  1.0
  F  F17  1  0.494  0.494  0.665  1.0
  F  F18  1  0.494  0.829  0.000  1.0
  F  F19  1  0.500  0.184  0.684  1.0
  F  F20  1  0.171  0.171  0.665  1.0
  F  F21  1  0.506  0.171  0.000  1.0
  F  F22  1  0.500  0.816  0.316  1.0
  F  F23  1  0.506  0.506  0.335  1.0
  F  F24  1  0.171  0.506  0.000  1.0
  F  F25  1  0.816  0.500  0.316  1.0
  F  F26  1  0.829  0.829  0.335  1.0
  F  F27  1  0.829  0.494  0.000  1.0
[/CIF]
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The material described by (ThEr2F10)2O2 crystallizes in the tetragonal I4/mmm space group. The structure consists of four water atoms inside a ThEr2F10 framework. In the ThEr2F10 framework, Th(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(3) atoms. Er(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Th(1) and two equivalent Er(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Er(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Th(1) and one Er(1) atom. is represented by the CIF file [CIF]
data_Er2ThOF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.434
_cell_length_b   8.434
_cell_length_c   8.434
_cell_angle_alpha   121.971
_cell_angle_beta   121.971
_cell_angle_gamma   86.619
_symmetry_Int_Tables_number   1
_cell_volume   410.854
_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
  Er  Er0  1  0.241  0.759  0.000  1.0
  Er  Er1  1  0.241  0.241  0.482  1.0
  Er  Er2  1  0.759  0.241  0.000  1.0
  Er  Er3  1  0.759  0.759  0.518  1.0
  Th  Th4  1  0.759  0.759  0.000  1.0
  Th  Th5  1  0.241  0.241  0.000  1.0
  O  O6  1  0.250  0.750  0.500  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  F  F8  1  0.117  0.895  0.222  1.0
  F  F9  1  0.105  0.326  0.222  1.0
  F  F10  1  0.105  0.883  0.778  1.0
  F  F11  1  0.674  0.895  0.778  1.0
  F  F12  1  0.883  0.105  0.778  1.0
  F  F13  1  0.895  0.674  0.778  1.0
  F  F14  1  0.895  0.117  0.222  1.0
  F  F15  1  0.326  0.105  0.222  1.0
  F  F16  1  0.184  0.500  0.684  1.0
  F  F17  1  0.494  0.494  0.665  1.0
  F  F18  1  0.494  0.829  0.000  1.0
  F  F19  1  0.500  0.184  0.684  1.0
  F  F20  1  0.171  0.171  0.665  1.0
  F  F21  1  0.506  0.171  0.000  1.0
  F  F22  1  0.500  0.816  0.316  1.0
  F  F23  1  0.506  0.506  0.335  1.0
  F  F24  1  0.171  0.506  0.000  1.0
  F  F25  1  0.816  0.500  0.316  1.0
  F  F26  1  0.829  0.829  0.335  1.0
  F  F27  1  0.829  0.494  0.000  1.0
[/CIF]
.