The crystal structure described by Y5O4F7 crystallizes in the monoclinic Pc space group. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one F(1), one F(2), one F(3), and one F(5) atom. In the second Y site, Y(2) is bonded in a distorted pentagonal pyramidal geometry to one O(2), one O(4), one F(2), one F(3), one F(4), and one F(6) atom. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one F(4), one F(5), one F(6), and one F(7) atom. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(5), one F(6), and one F(7) atom. In the fifth Y site, Y(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and one F(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Y(3), one Y(4), and one Y(5) atom. In the second O site, O(2) is bonded to one Y(1), one Y(2), one Y(4), and one Y(5) atom to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(4), and two equivalent Y(5) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fourth O site, O(4) is bonded to one Y(1), one Y(2), one Y(3), and one Y(5) atom to form a mixture of edge and corner-sharing OY4 tetrahedra. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Y(1) and one Y(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one Y(1) and one Y(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Y(1) and one Y(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(3) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Y(1), one Y(3), and one Y(4) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Y(2), one Y(3), and one Y(4) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Y(3), one Y(4), and one Y(5) atom. is represented by the CIF card [CIF]
data_Y5O4F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.024
_cell_length_b   7.828
_cell_length_c   6.861
_cell_angle_alpha   108.380
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.900
_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  0.204  0.221  0.021  1.0
  Y  Y1  1  0.160  0.671  0.939  1.0
  Y  Y2  1  0.725  0.367  0.565  1.0
  Y  Y3  1  0.347  0.297  0.515  1.0
  Y  Y4  1  0.478  0.950  0.073  1.0
  Y  Y5  1  0.653  0.797  0.515  1.0
  Y  Y6  1  0.522  0.450  0.073  1.0
  Y  Y7  1  0.275  0.867  0.565  1.0
  Y  Y8  1  0.840  0.171  0.939  1.0
  Y  Y9  1  0.796  0.721  0.021  1.0
  O  O10  1  0.407  0.000  0.406  1.0
  O  O11  1  0.312  0.454  0.928  1.0
  O  O12  1  0.413  0.239  0.170  1.0
  O  O13  1  0.267  0.922  0.924  1.0
  O  O14  1  0.733  0.422  0.924  1.0
  O  O15  1  0.587  0.739  0.170  1.0
  O  O16  1  0.593  0.500  0.406  1.0
  O  O17  1  0.688  0.954  0.928  1.0
  F  F18  1  0.161  0.249  0.342  1.0
  F  F19  1  0.988  0.860  0.078  1.0
  F  F20  1  0.018  0.026  0.803  1.0
  F  F21  1  0.808  0.217  0.270  1.0
  F  F22  1  0.786  0.649  0.671  1.0
  F  F23  1  0.755  0.087  0.599  1.0
  F  F24  1  0.532  0.301  0.695  1.0
  F  F25  1  0.468  0.801  0.695  1.0
  F  F26  1  0.245  0.587  0.599  1.0
  F  F27  1  0.192  0.717  0.270  1.0
  F  F28  1  0.214  0.149  0.671  1.0
  F  F29  1  0.012  0.360  0.078  1.0
  F  F30  1  0.982  0.526  0.803  1.0
  F  F31  1  0.839  0.749  0.342  1.0
[/CIF]
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The crystal structure described by Y5O4F7 crystallizes in the monoclinic Pc space group. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one F(1), one F(2), one F(3), and one F(5) atom. In the second Y site, Y(2) is bonded in a distorted pentagonal pyramidal geometry to one O(2), one O(4), one F(2), one F(3), one F(4), and one F(6) atom. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one F(4), one F(5), one F(6), and one F(7) atom. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(5), one F(6), and one F(7) atom. In the fifth Y site, Y(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and one F(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Y(3), one Y(4), and one Y(5) atom. In the second O site, O(2) is bonded to one Y(1), one Y(2), one Y(4), and one Y(5) atom to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(4), and two equivalent Y(5) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fourth O site, O(4) is bonded to one Y(1), one Y(2), one Y(3), and one Y(5) atom to form a mixture of edge and corner-sharing OY4 tetrahedra. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Y(1) and one Y(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one Y(1) and one Y(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Y(1) and one Y(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Y(2) and one Y(3) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Y(1), one Y(3), and one Y(4) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Y(2), one Y(3), and one Y(4) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Y(3), one Y(4), and one Y(5) atom. is represented by the CIF card [CIF]
data_Y5O4F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.024
_cell_length_b   7.828
_cell_length_c   6.861
_cell_angle_alpha   108.380
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.900
_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  0.204  0.221  0.021  1.0
  Y  Y1  1  0.160  0.671  0.939  1.0
  Y  Y2  1  0.725  0.367  0.565  1.0
  Y  Y3  1  0.347  0.297  0.515  1.0
  Y  Y4  1  0.478  0.950  0.073  1.0
  Y  Y5  1  0.653  0.797  0.515  1.0
  Y  Y6  1  0.522  0.450  0.073  1.0
  Y  Y7  1  0.275  0.867  0.565  1.0
  Y  Y8  1  0.840  0.171  0.939  1.0
  Y  Y9  1  0.796  0.721  0.021  1.0
  O  O10  1  0.407  0.000  0.406  1.0
  O  O11  1  0.312  0.454  0.928  1.0
  O  O12  1  0.413  0.239  0.170  1.0
  O  O13  1  0.267  0.922  0.924  1.0
  O  O14  1  0.733  0.422  0.924  1.0
  O  O15  1  0.587  0.739  0.170  1.0
  O  O16  1  0.593  0.500  0.406  1.0
  O  O17  1  0.688  0.954  0.928  1.0
  F  F18  1  0.161  0.249  0.342  1.0
  F  F19  1  0.988  0.860  0.078  1.0
  F  F20  1  0.018  0.026  0.803  1.0
  F  F21  1  0.808  0.217  0.270  1.0
  F  F22  1  0.786  0.649  0.671  1.0
  F  F23  1  0.755  0.087  0.599  1.0
  F  F24  1  0.532  0.301  0.695  1.0
  F  F25  1  0.468  0.801  0.695  1.0
  F  F26  1  0.245  0.587  0.599  1.0
  F  F27  1  0.192  0.717  0.270  1.0
  F  F28  1  0.214  0.149  0.671  1.0
  F  F29  1  0.012  0.360  0.078  1.0
  F  F30  1  0.982  0.526  0.803  1.0
  F  F31  1  0.839  0.749  0.342  1.0
[/CIF]
.