The crystal structure described by Y5Sb3F crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to five equivalent Sb(1) and two equivalent F(1) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Y(2) and five equivalent Y(1) atoms. F(1) is bonded to six equivalent Y(1) atoms to form face-sharing FY6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y5Sb3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.023
_cell_length_b   9.023
_cell_length_c   6.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   442.885
_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  0.258  0.000  0.250  1.0
  Y  Y1  1  0.742  0.000  0.750  1.0
  Y  Y2  1  0.000  0.258  0.250  1.0
  Y  Y3  1  0.000  0.742  0.750  1.0
  Y  Y4  1  0.742  0.742  0.250  1.0
  Y  Y5  1  0.258  0.258  0.750  1.0
  Y  Y6  1  0.333  0.667  0.000  1.0
  Y  Y7  1  0.667  0.333  0.000  1.0
  Y  Y8  1  0.667  0.333  0.500  1.0
  Y  Y9  1  0.333  0.667  0.500  1.0
  Sb  Sb10  1  0.615  0.000  0.250  1.0
  Sb  Sb11  1  0.385  0.000  0.750  1.0
  Sb  Sb12  1  0.000  0.615  0.250  1.0
  Sb  Sb13  1  0.000  0.385  0.750  1.0
  Sb  Sb14  1  0.385  0.385  0.250  1.0
  Sb  Sb15  1  0.615  0.615  0.750  1.0
  F  F16  1  0.000  0.000  0.000  1.0
  F  F17  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Y5Sb3F crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to five equivalent Sb(1) and two equivalent F(1) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Y(2) and five equivalent Y(1) atoms. F(1) is bonded to six equivalent Y(1) atoms to form face-sharing FY6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y5Sb3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.023
_cell_length_b   9.023
_cell_length_c   6.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   442.885
_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  0.258  0.000  0.250  1.0
  Y  Y1  1  0.742  0.000  0.750  1.0
  Y  Y2  1  0.000  0.258  0.250  1.0
  Y  Y3  1  0.000  0.742  0.750  1.0
  Y  Y4  1  0.742  0.742  0.250  1.0
  Y  Y5  1  0.258  0.258  0.750  1.0
  Y  Y6  1  0.333  0.667  0.000  1.0
  Y  Y7  1  0.667  0.333  0.000  1.0
  Y  Y8  1  0.667  0.333  0.500  1.0
  Y  Y9  1  0.333  0.667  0.500  1.0
  Sb  Sb10  1  0.615  0.000  0.250  1.0
  Sb  Sb11  1  0.385  0.000  0.750  1.0
  Sb  Sb12  1  0.000  0.615  0.250  1.0
  Sb  Sb13  1  0.000  0.385  0.750  1.0
  Sb  Sb14  1  0.385  0.385  0.250  1.0
  Sb  Sb15  1  0.615  0.615  0.750  1.0
  F  F16  1  0.000  0.000  0.000  1.0
  F  F17  1  0.000  0.000  0.500  1.0
[/CIF]
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