The structure described by Ba3YF9 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one F(3), one F(6), two equivalent F(2), and four equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(5), two equivalent F(6), and four equivalent F(1) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms. Y(1) is bonded in an octahedral geometry to one F(3), one F(6), two equivalent F(1), and two equivalent F(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Ba(3), two equivalent Ba(2), and one Y(1) atom to form distorted FBa3Y tetrahedra that share corners with two equivalent F(1)Ba3Y tetrahedra, corners with four equivalent F(5)Ba4 tetrahedra,  an edgeedge with one F(5)Ba4 tetrahedra, and edges with three equivalent F(1)Ba3Y tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Y(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Y(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ba(2) and one Ba(3) atom. In the fifth F site, F(5) is bonded to one Ba(2), one Ba(3), and two equivalent Ba(1) atoms to form FBa4 tetrahedra that share corners with two equivalent F(5)Ba4 tetrahedra, corners with four equivalent F(1)Ba3Y tetrahedra,  an edgeedge with one F(1)Ba3Y tetrahedra, and edges with three equivalent F(5)Ba4 tetrahedra. In the sixth F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3YF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.089
_cell_length_b   10.318
_cell_length_c   15.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   993.425
_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  0.750  0.054  0.909  1.0
  Ba  Ba1  1  0.750  0.166  0.473  1.0
  Ba  Ba2  1  0.250  0.242  0.672  1.0
  Ba  Ba3  1  0.750  0.258  0.172  1.0
  Ba  Ba4  1  0.250  0.334  0.973  1.0
  Ba  Ba5  1  0.250  0.446  0.409  1.0
  Ba  Ba6  1  0.750  0.554  0.591  1.0
  Ba  Ba7  1  0.750  0.666  0.027  1.0
  Ba  Ba8  1  0.250  0.742  0.828  1.0
  Ba  Ba9  1  0.750  0.758  0.328  1.0
  Ba  Ba10  1  0.250  0.834  0.527  1.0
  Ba  Ba11  1  0.250  0.946  0.091  1.0
  Y  Y12  1  0.250  0.038  0.317  1.0
  Y  Y13  1  0.750  0.462  0.817  1.0
  Y  Y14  1  0.250  0.538  0.183  1.0
  Y  Y15  1  0.750  0.962  0.683  1.0
  F  F16  1  0.496  0.045  0.596  1.0
  F  F17  1  0.004  0.045  0.596  1.0
  F  F18  1  0.008  0.071  0.220  1.0
  F  F19  1  0.492  0.071  0.220  1.0
  F  F20  1  0.750  0.158  0.737  1.0
  F  F21  1  0.250  0.211  0.837  1.0
  F  F22  1  0.497  0.145  0.037  1.0
  F  F23  1  0.003  0.145  0.037  1.0
  F  F24  1  0.250  0.189  0.412  1.0
  F  F25  1  0.750  0.311  0.912  1.0
  F  F26  1  0.997  0.355  0.537  1.0
  F  F27  1  0.503  0.355  0.537  1.0
  F  F28  1  0.750  0.289  0.337  1.0
  F  F29  1  0.250  0.342  0.237  1.0
  F  F30  1  0.992  0.429  0.720  1.0
  F  F31  1  0.508  0.429  0.720  1.0
  F  F32  1  0.996  0.455  0.096  1.0
  F  F33  1  0.504  0.455  0.096  1.0
  F  F34  1  0.496  0.545  0.904  1.0
  F  F35  1  0.004  0.545  0.904  1.0
  F  F36  1  0.008  0.571  0.280  1.0
  F  F37  1  0.492  0.571  0.280  1.0
  F  F38  1  0.750  0.658  0.763  1.0
  F  F39  1  0.250  0.711  0.663  1.0
  F  F40  1  0.497  0.645  0.463  1.0
  F  F41  1  0.003  0.645  0.463  1.0
  F  F42  1  0.250  0.689  0.088  1.0
  F  F43  1  0.750  0.811  0.588  1.0
  F  F44  1  0.997  0.855  0.963  1.0
  F  F45  1  0.503  0.855  0.963  1.0
  F  F46  1  0.750  0.789  0.163  1.0
  F  F47  1  0.250  0.842  0.263  1.0
  F  F48  1  0.508  0.929  0.780  1.0
  F  F49  1  0.992  0.929  0.780  1.0
  F  F50  1  0.996  0.955  0.404  1.0
  F  F51  1  0.504  0.955  0.404  1.0
[/CIF]
.
The structure described by Ba3YF9 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one F(3), one F(6), two equivalent F(2), and four equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(5), two equivalent F(6), and four equivalent F(1) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms. Y(1) is bonded in an octahedral geometry to one F(3), one F(6), two equivalent F(1), and two equivalent F(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Ba(3), two equivalent Ba(2), and one Y(1) atom to form distorted FBa3Y tetrahedra that share corners with two equivalent F(1)Ba3Y tetrahedra, corners with four equivalent F(5)Ba4 tetrahedra,  an edgeedge with one F(5)Ba4 tetrahedra, and edges with three equivalent F(1)Ba3Y tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Y(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Y(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ba(2) and one Ba(3) atom. In the fifth F site, F(5) is bonded to one Ba(2), one Ba(3), and two equivalent Ba(1) atoms to form FBa4 tetrahedra that share corners with two equivalent F(5)Ba4 tetrahedra, corners with four equivalent F(1)Ba3Y tetrahedra,  an edgeedge with one F(1)Ba3Y tetrahedra, and edges with three equivalent F(5)Ba4 tetrahedra. In the sixth F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3YF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.089
_cell_length_b   10.318
_cell_length_c   15.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   993.425
_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  0.750  0.054  0.909  1.0
  Ba  Ba1  1  0.750  0.166  0.473  1.0
  Ba  Ba2  1  0.250  0.242  0.672  1.0
  Ba  Ba3  1  0.750  0.258  0.172  1.0
  Ba  Ba4  1  0.250  0.334  0.973  1.0
  Ba  Ba5  1  0.250  0.446  0.409  1.0
  Ba  Ba6  1  0.750  0.554  0.591  1.0
  Ba  Ba7  1  0.750  0.666  0.027  1.0
  Ba  Ba8  1  0.250  0.742  0.828  1.0
  Ba  Ba9  1  0.750  0.758  0.328  1.0
  Ba  Ba10  1  0.250  0.834  0.527  1.0
  Ba  Ba11  1  0.250  0.946  0.091  1.0
  Y  Y12  1  0.250  0.038  0.317  1.0
  Y  Y13  1  0.750  0.462  0.817  1.0
  Y  Y14  1  0.250  0.538  0.183  1.0
  Y  Y15  1  0.750  0.962  0.683  1.0
  F  F16  1  0.496  0.045  0.596  1.0
  F  F17  1  0.004  0.045  0.596  1.0
  F  F18  1  0.008  0.071  0.220  1.0
  F  F19  1  0.492  0.071  0.220  1.0
  F  F20  1  0.750  0.158  0.737  1.0
  F  F21  1  0.250  0.211  0.837  1.0
  F  F22  1  0.497  0.145  0.037  1.0
  F  F23  1  0.003  0.145  0.037  1.0
  F  F24  1  0.250  0.189  0.412  1.0
  F  F25  1  0.750  0.311  0.912  1.0
  F  F26  1  0.997  0.355  0.537  1.0
  F  F27  1  0.503  0.355  0.537  1.0
  F  F28  1  0.750  0.289  0.337  1.0
  F  F29  1  0.250  0.342  0.237  1.0
  F  F30  1  0.992  0.429  0.720  1.0
  F  F31  1  0.508  0.429  0.720  1.0
  F  F32  1  0.996  0.455  0.096  1.0
  F  F33  1  0.504  0.455  0.096  1.0
  F  F34  1  0.496  0.545  0.904  1.0
  F  F35  1  0.004  0.545  0.904  1.0
  F  F36  1  0.008  0.571  0.280  1.0
  F  F37  1  0.492  0.571  0.280  1.0
  F  F38  1  0.750  0.658  0.763  1.0
  F  F39  1  0.250  0.711  0.663  1.0
  F  F40  1  0.497  0.645  0.463  1.0
  F  F41  1  0.003  0.645  0.463  1.0
  F  F42  1  0.250  0.689  0.088  1.0
  F  F43  1  0.750  0.811  0.588  1.0
  F  F44  1  0.997  0.855  0.963  1.0
  F  F45  1  0.503  0.855  0.963  1.0
  F  F46  1  0.750  0.789  0.163  1.0
  F  F47  1  0.250  0.842  0.263  1.0
  F  F48  1  0.508  0.929  0.780  1.0
  F  F49  1  0.992  0.929  0.780  1.0
  F  F50  1  0.996  0.955  0.404  1.0
  F  F51  1  0.504  0.955  0.404  1.0
[/CIF]
.