The crystal structure described by YSeF crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 2-coordinate geometry to five equivalent Se(1) and two equivalent F(1) atoms. Se(1) is bonded to five equivalent Y(1) atoms to form a mixture of corner and edge-sharing SeY5 trigonal bipyramids. F(1) is bonded in a bent 150 degrees geometry to two equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YSeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.739
_cell_length_b   5.808
_cell_length_c   7.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.326
_cell_formula_units_Z   4
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  0.872  0.818  1.0
  Y  Y1  1  0.750  0.372  0.682  1.0
  Y  Y2  1  0.750  0.128  0.182  1.0
  Y  Y3  1  0.250  0.628  0.318  1.0
  Se  Se4  1  0.750  0.619  0.330  1.0
  Se  Se5  1  0.250  0.119  0.170  1.0
  Se  Se6  1  0.750  0.881  0.830  1.0
  Se  Se7  1  0.250  0.381  0.670  1.0
  F  F8  1  0.250  0.867  0.536  1.0
  F  F9  1  0.250  0.633  0.036  1.0
  F  F10  1  0.750  0.133  0.464  1.0
  F  F11  1  0.750  0.367  0.964  1.0
[/CIF]
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The crystal structure described by YSeF crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 2-coordinate geometry to five equivalent Se(1) and two equivalent F(1) atoms. Se(1) is bonded to five equivalent Y(1) atoms to form a mixture of corner and edge-sharing SeY5 trigonal bipyramids. F(1) is bonded in a bent 150 degrees geometry to two equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YSeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.739
_cell_length_b   5.808
_cell_length_c   7.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.326
_cell_formula_units_Z   4
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  0.872  0.818  1.0
  Y  Y1  1  0.750  0.372  0.682  1.0
  Y  Y2  1  0.750  0.128  0.182  1.0
  Y  Y3  1  0.250  0.628  0.318  1.0
  Se  Se4  1  0.750  0.619  0.330  1.0
  Se  Se5  1  0.250  0.119  0.170  1.0
  Se  Se6  1  0.750  0.881  0.830  1.0
  Se  Se7  1  0.250  0.381  0.670  1.0
  F  F8  1  0.250  0.867  0.536  1.0
  F  F9  1  0.250  0.633  0.036  1.0
  F  F10  1  0.750  0.133  0.464  1.0
  F  F11  1  0.750  0.367  0.964  1.0
[/CIF]
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