The material described by YSeO3F crystallizes in the monoclinic P2_1/m space group. Y(1) is bonded to one O(1), four equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing YO5F2 pentagonal bipyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Se(1) atom. F(1) is bonded in a linear geometry to two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_YSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.005
_cell_length_b   4.384
_cell_length_c   6.552
_cell_angle_alpha   83.761
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.980
_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
  Y  Y0  1  0.250  0.542  0.367  1.0
  Y  Y1  1  0.750  0.458  0.633  1.0
  Se  Se2  1  0.750  0.683  0.145  1.0
  Se  Se3  1  0.250  0.317  0.855  1.0
  O  O4  1  0.250  0.584  0.019  1.0
  O  O5  1  0.750  0.416  0.981  1.0
  O  O6  1  0.574  0.559  0.319  1.0
  O  O7  1  0.074  0.441  0.681  1.0
  O  O8  1  0.426  0.441  0.681  1.0
  O  O9  1  0.926  0.559  0.319  1.0
  F  F10  1  0.250  0.042  0.357  1.0
  F  F11  1  0.750  0.958  0.643  1.0
[/CIF]
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The material described by YSeO3F crystallizes in the monoclinic P2_1/m space group. Y(1) is bonded to one O(1), four equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing YO5F2 pentagonal bipyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Se(1) atom. F(1) is bonded in a linear geometry to two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_YSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.005
_cell_length_b   4.384
_cell_length_c   6.552
_cell_angle_alpha   83.761
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.980
_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
  Y  Y0  1  0.250  0.542  0.367  1.0
  Y  Y1  1  0.750  0.458  0.633  1.0
  Se  Se2  1  0.750  0.683  0.145  1.0
  Se  Se3  1  0.250  0.317  0.855  1.0
  O  O4  1  0.250  0.584  0.019  1.0
  O  O5  1  0.750  0.416  0.981  1.0
  O  O6  1  0.574  0.559  0.319  1.0
  O  O7  1  0.074  0.441  0.681  1.0
  O  O8  1  0.426  0.441  0.681  1.0
  O  O9  1  0.926  0.559  0.319  1.0
  F  F10  1  0.250  0.042  0.357  1.0
  F  F11  1  0.750  0.958  0.643  1.0
[/CIF]
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