The structure described by BaYF5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one F(10), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(2), one F(4), one F(5), one F(6), one F(7), one F(8), one F(9), and two equivalent F(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), one F(8), and one F(9) atom to form distorted edge-sharing YF7 pentagonal bipyramids. In the second Y site, Y(2) is bonded to one F(10), one F(2), one F(3), one F(5), one F(7), one F(8), and one F(9) atom to form distorted edge-sharing YF7 pentagonal bipyramids. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Y(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and one Y(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ba(1), one Y(1), and one Y(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Y(1), and one Y(2) atom. In the ninth F site, F(9) is bonded in a trigonal non-coplanar geometry to one Ba(2), one Y(1), and one Y(2) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Ba(1) and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.299
_cell_length_b   5.737
_cell_length_c   8.183
_cell_angle_alpha   88.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.370
_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
  Ba  Ba0  1  0.018  0.012  0.825  1.0
  Ba  Ba1  1  0.342  0.501  0.638  1.0
  Ba  Ba2  1  0.842  0.499  0.362  1.0
  Ba  Ba3  1  0.518  0.988  0.175  1.0
  Y  Y4  1  0.627  0.006  0.620  1.0
  Y  Y5  1  0.210  0.501  0.099  1.0
  Y  Y6  1  0.710  0.499  0.901  1.0
  Y  Y7  1  0.127  0.994  0.380  1.0
  F  F8  1  0.768  0.991  0.422  1.0
  F  F9  1  0.553  0.219  0.837  1.0
  F  F10  1  0.285  0.164  0.230  1.0
  F  F11  1  0.513  0.239  0.465  1.0
  F  F12  1  0.221  0.267  0.893  1.0
  F  F13  1  0.039  0.252  0.540  1.0
  F  F14  1  0.712  0.270  0.117  1.0
  F  F15  1  0.748  0.343  0.651  1.0
  F  F16  1  0.043  0.279  0.208  1.0
  F  F17  1  0.918  0.435  0.911  1.0
  F  F18  1  0.418  0.565  0.089  1.0
  F  F19  1  0.543  0.721  0.792  1.0
  F  F20  1  0.248  0.657  0.349  1.0
  F  F21  1  0.212  0.730  0.883  1.0
  F  F22  1  0.539  0.748  0.460  1.0
  F  F23  1  0.721  0.733  0.107  1.0
  F  F24  1  0.013  0.761  0.535  1.0
  F  F25  1  0.785  0.836  0.770  1.0
  F  F26  1  0.053  0.781  0.163  1.0
  F  F27  1  0.268  0.009  0.578  1.0
[/CIF]
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The structure described by BaYF5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one F(10), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(2), one F(4), one F(5), one F(6), one F(7), one F(8), one F(9), and two equivalent F(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), one F(8), and one F(9) atom to form distorted edge-sharing YF7 pentagonal bipyramids. In the second Y site, Y(2) is bonded to one F(10), one F(2), one F(3), one F(5), one F(7), one F(8), and one F(9) atom to form distorted edge-sharing YF7 pentagonal bipyramids. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Y(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and one Y(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ba(1), one Y(1), and one Y(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Y(1), and one Y(2) atom. In the ninth F site, F(9) is bonded in a trigonal non-coplanar geometry to one Ba(2), one Y(1), and one Y(2) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Ba(1) and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.299
_cell_length_b   5.737
_cell_length_c   8.183
_cell_angle_alpha   88.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.370
_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
  Ba  Ba0  1  0.018  0.012  0.825  1.0
  Ba  Ba1  1  0.342  0.501  0.638  1.0
  Ba  Ba2  1  0.842  0.499  0.362  1.0
  Ba  Ba3  1  0.518  0.988  0.175  1.0
  Y  Y4  1  0.627  0.006  0.620  1.0
  Y  Y5  1  0.210  0.501  0.099  1.0
  Y  Y6  1  0.710  0.499  0.901  1.0
  Y  Y7  1  0.127  0.994  0.380  1.0
  F  F8  1  0.768  0.991  0.422  1.0
  F  F9  1  0.553  0.219  0.837  1.0
  F  F10  1  0.285  0.164  0.230  1.0
  F  F11  1  0.513  0.239  0.465  1.0
  F  F12  1  0.221  0.267  0.893  1.0
  F  F13  1  0.039  0.252  0.540  1.0
  F  F14  1  0.712  0.270  0.117  1.0
  F  F15  1  0.748  0.343  0.651  1.0
  F  F16  1  0.043  0.279  0.208  1.0
  F  F17  1  0.918  0.435  0.911  1.0
  F  F18  1  0.418  0.565  0.089  1.0
  F  F19  1  0.543  0.721  0.792  1.0
  F  F20  1  0.248  0.657  0.349  1.0
  F  F21  1  0.212  0.730  0.883  1.0
  F  F22  1  0.539  0.748  0.460  1.0
  F  F23  1  0.721  0.733  0.107  1.0
  F  F24  1  0.013  0.761  0.535  1.0
  F  F25  1  0.785  0.836  0.770  1.0
  F  F26  1  0.053  0.781  0.163  1.0
  F  F27  1  0.268  0.009  0.578  1.0
[/CIF]
.