The compound described by Ba5Y3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(6) and four equivalent F(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(4), one F(6), one F(7), two equivalent F(1), and two equivalent F(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(2), one F(7), two equivalent F(1), and two equivalent F(3) atoms. In the second Y site, Y(2) is bonded to two equivalent F(5) and four equivalent F(4) atoms to form corner-sharing YF6 octahedra. The corner-sharing octahedra are not tilted. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(2) and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Y(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Y(2) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Ba(2) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba5Y3F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.946
_cell_length_b   11.946
_cell_length_c   11.946
_cell_angle_alpha   97.047
_cell_angle_beta   97.047
_cell_angle_gamma   138.993
_symmetry_Int_Tables_number   1
_cell_volume   1047.658
_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
  Ba  Ba0  1  0.309  0.809  0.500  1.0
  Ba  Ba1  1  0.733  0.556  0.302  1.0
  Ba  Ba2  1  0.754  0.056  0.823  1.0
  Ba  Ba3  1  0.056  0.233  0.302  1.0
  Ba  Ba4  1  0.431  0.733  0.177  1.0
  Ba  Ba5  1  0.556  0.254  0.823  1.0
  Ba  Ba6  1  0.931  0.754  0.698  1.0
  Ba  Ba7  1  0.254  0.431  0.698  1.0
  Ba  Ba8  1  0.233  0.931  0.177  1.0
  Ba  Ba9  1  0.809  0.309  0.500  1.0
  Y  Y10  1  0.835  0.335  0.164  1.0
  Y  Y11  1  0.833  0.833  0.000  1.0
  Y  Y12  1  0.333  0.333  0.000  1.0
  Y  Y13  1  0.335  0.171  0.500  1.0
  Y  Y14  1  0.671  0.835  0.500  1.0
  Y  Y15  1  0.171  0.671  0.836  1.0
  F  F16  1  0.070  0.412  0.163  1.0
  F  F17  1  0.912  0.570  0.163  1.0
  F  F18  1  0.989  0.489  0.356  1.0
  F  F19  1  0.522  0.742  0.630  1.0
  F  F20  1  0.612  0.242  0.221  1.0
  F  F21  1  0.948  0.754  0.989  1.0
  F  F22  1  0.586  0.586  0.000  1.0
  F  F23  1  0.086  0.086  0.000  1.0
  F  F24  1  0.448  0.459  0.194  1.0
  F  F25  1  0.112  0.891  0.370  1.0
  F  F26  1  0.132  0.632  0.644  1.0
  F  F27  1  0.557  0.057  0.710  1.0
  F  F28  1  0.848  0.557  0.500  1.0
  F  F29  1  0.959  0.948  0.194  1.0
  F  F30  1  0.254  0.448  0.989  1.0
  F  F31  1  0.242  0.022  0.630  1.0
  F  F32  1  0.757  0.726  0.500  1.0
  F  F33  1  0.726  0.226  0.969  1.0
  F  F34  1  0.749  0.912  0.343  1.0
  F  F35  1  0.249  0.906  0.837  1.0
  F  F36  1  0.570  0.406  0.657  1.0
  F  F37  1  0.257  0.757  0.031  1.0
  F  F38  1  0.226  0.257  0.500  1.0
  F  F39  1  0.391  0.612  0.370  1.0
  F  F40  1  0.742  0.112  0.221  1.0
  F  F41  1  0.754  0.765  0.806  1.0
  F  F42  1  0.459  0.265  0.011  1.0
  F  F43  1  0.348  0.848  0.290  1.0
  F  F44  1  0.057  0.348  0.500  1.0
  F  F45  1  0.906  0.070  0.657  1.0
  F  F46  1  0.632  0.989  0.500  1.0
  F  F47  1  0.265  0.254  0.806  1.0
  F  F48  1  0.765  0.959  0.011  1.0
  F  F49  1  0.022  0.391  0.779  1.0
  F  F50  1  0.489  0.132  0.500  1.0
  F  F51  1  0.412  0.249  0.343  1.0
  F  F52  1  0.406  0.749  0.837  1.0
  F  F53  1  0.891  0.522  0.779  1.0
[/CIF]
.
The compound described by Ba5Y3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(6) and four equivalent F(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(4), one F(6), one F(7), two equivalent F(1), and two equivalent F(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(2), one F(7), two equivalent F(1), and two equivalent F(3) atoms. In the second Y site, Y(2) is bonded to two equivalent F(5) and four equivalent F(4) atoms to form corner-sharing YF6 octahedra. The corner-sharing octahedra are not tilted. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(2) and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Y(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Y(2) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Ba(2) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba5Y3F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.946
_cell_length_b   11.946
_cell_length_c   11.946
_cell_angle_alpha   97.047
_cell_angle_beta   97.047
_cell_angle_gamma   138.993
_symmetry_Int_Tables_number   1
_cell_volume   1047.658
_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
  Ba  Ba0  1  0.309  0.809  0.500  1.0
  Ba  Ba1  1  0.733  0.556  0.302  1.0
  Ba  Ba2  1  0.754  0.056  0.823  1.0
  Ba  Ba3  1  0.056  0.233  0.302  1.0
  Ba  Ba4  1  0.431  0.733  0.177  1.0
  Ba  Ba5  1  0.556  0.254  0.823  1.0
  Ba  Ba6  1  0.931  0.754  0.698  1.0
  Ba  Ba7  1  0.254  0.431  0.698  1.0
  Ba  Ba8  1  0.233  0.931  0.177  1.0
  Ba  Ba9  1  0.809  0.309  0.500  1.0
  Y  Y10  1  0.835  0.335  0.164  1.0
  Y  Y11  1  0.833  0.833  0.000  1.0
  Y  Y12  1  0.333  0.333  0.000  1.0
  Y  Y13  1  0.335  0.171  0.500  1.0
  Y  Y14  1  0.671  0.835  0.500  1.0
  Y  Y15  1  0.171  0.671  0.836  1.0
  F  F16  1  0.070  0.412  0.163  1.0
  F  F17  1  0.912  0.570  0.163  1.0
  F  F18  1  0.989  0.489  0.356  1.0
  F  F19  1  0.522  0.742  0.630  1.0
  F  F20  1  0.612  0.242  0.221  1.0
  F  F21  1  0.948  0.754  0.989  1.0
  F  F22  1  0.586  0.586  0.000  1.0
  F  F23  1  0.086  0.086  0.000  1.0
  F  F24  1  0.448  0.459  0.194  1.0
  F  F25  1  0.112  0.891  0.370  1.0
  F  F26  1  0.132  0.632  0.644  1.0
  F  F27  1  0.557  0.057  0.710  1.0
  F  F28  1  0.848  0.557  0.500  1.0
  F  F29  1  0.959  0.948  0.194  1.0
  F  F30  1  0.254  0.448  0.989  1.0
  F  F31  1  0.242  0.022  0.630  1.0
  F  F32  1  0.757  0.726  0.500  1.0
  F  F33  1  0.726  0.226  0.969  1.0
  F  F34  1  0.749  0.912  0.343  1.0
  F  F35  1  0.249  0.906  0.837  1.0
  F  F36  1  0.570  0.406  0.657  1.0
  F  F37  1  0.257  0.757  0.031  1.0
  F  F38  1  0.226  0.257  0.500  1.0
  F  F39  1  0.391  0.612  0.370  1.0
  F  F40  1  0.742  0.112  0.221  1.0
  F  F41  1  0.754  0.765  0.806  1.0
  F  F42  1  0.459  0.265  0.011  1.0
  F  F43  1  0.348  0.848  0.290  1.0
  F  F44  1  0.057  0.348  0.500  1.0
  F  F45  1  0.906  0.070  0.657  1.0
  F  F46  1  0.632  0.989  0.500  1.0
  F  F47  1  0.265  0.254  0.806  1.0
  F  F48  1  0.765  0.959  0.011  1.0
  F  F49  1  0.022  0.391  0.779  1.0
  F  F50  1  0.489  0.132  0.500  1.0
  F  F51  1  0.412  0.249  0.343  1.0
  F  F52  1  0.406  0.749  0.837  1.0
  F  F53  1  0.891  0.522  0.779  1.0
[/CIF]
.