The material structure described by Ba2YF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one F(1), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form BaF7 pentagonal bipyramids that share corners with three equivalent Y(1)F6 octahedra, corners with two equivalent Ba(1)F7 pentagonal bipyramids, and  an edgeedge with one Y(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. Y(1) is bonded to one F(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms to form YF6 octahedra that share corners with three equivalent Ba(1)F7 pentagonal bipyramids and  an edgeedge with one Ba(1)F7 pentagonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ba(2) and one Y(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ba(2) and two equivalent Ba(1) atoms. 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(1) atom. is represented by the CIF card [CIF]
data_Ba2YF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.144
_cell_length_b   8.989
_cell_length_c   11.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   830.508
_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  0.250  0.107  0.743  1.0
  Ba  Ba1  1  0.750  0.195  0.895  1.0
  Ba  Ba2  1  0.250  0.305  0.395  1.0
  Ba  Ba3  1  0.750  0.393  0.243  1.0
  Ba  Ba4  1  0.250  0.607  0.757  1.0
  Ba  Ba5  1  0.750  0.695  0.605  1.0
  Ba  Ba6  1  0.250  0.805  0.105  1.0
  Ba  Ba7  1  0.750  0.893  0.257  1.0
  Y  Y8  1  0.750  0.186  0.556  1.0
  Y  Y9  1  0.250  0.314  0.056  1.0
  Y  Y10  1  0.750  0.686  0.944  1.0
  Y  Y11  1  0.250  0.814  0.444  1.0
  F  F12  1  0.250  0.043  0.513  1.0
  F  F13  1  0.250  0.094  0.134  1.0
  F  F14  1  0.750  0.133  0.124  1.0
  F  F15  1  0.570  0.126  0.692  1.0
  F  F16  1  0.930  0.126  0.692  1.0
  F  F17  1  0.575  0.251  0.416  1.0
  F  F18  1  0.925  0.251  0.416  1.0
  F  F19  1  0.075  0.249  0.916  1.0
  F  F20  1  0.425  0.249  0.916  1.0
  F  F21  1  0.070  0.374  0.192  1.0
  F  F22  1  0.430  0.374  0.192  1.0
  F  F23  1  0.250  0.367  0.624  1.0
  F  F24  1  0.750  0.406  0.634  1.0
  F  F25  1  0.750  0.457  0.013  1.0
  F  F26  1  0.250  0.543  0.987  1.0
  F  F27  1  0.250  0.594  0.366  1.0
  F  F28  1  0.750  0.633  0.376  1.0
  F  F29  1  0.570  0.626  0.808  1.0
  F  F30  1  0.930  0.626  0.808  1.0
  F  F31  1  0.575  0.751  0.084  1.0
  F  F32  1  0.925  0.751  0.084  1.0
  F  F33  1  0.075  0.749  0.584  1.0
  F  F34  1  0.425  0.749  0.584  1.0
  F  F35  1  0.070  0.874  0.308  1.0
  F  F36  1  0.430  0.874  0.308  1.0
  F  F37  1  0.250  0.867  0.876  1.0
  F  F38  1  0.750  0.906  0.866  1.0
  F  F39  1  0.750  0.957  0.487  1.0
[/CIF]
.
The material structure described by Ba2YF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one F(1), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form BaF7 pentagonal bipyramids that share corners with three equivalent Y(1)F6 octahedra, corners with two equivalent Ba(1)F7 pentagonal bipyramids, and  an edgeedge with one Y(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. Y(1) is bonded to one F(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms to form YF6 octahedra that share corners with three equivalent Ba(1)F7 pentagonal bipyramids and  an edgeedge with one Ba(1)F7 pentagonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ba(2) and one Y(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ba(2) and two equivalent Ba(1) atoms. 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(1) atom. is represented by the CIF card [CIF]
data_Ba2YF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.144
_cell_length_b   8.989
_cell_length_c   11.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   830.508
_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  0.250  0.107  0.743  1.0
  Ba  Ba1  1  0.750  0.195  0.895  1.0
  Ba  Ba2  1  0.250  0.305  0.395  1.0
  Ba  Ba3  1  0.750  0.393  0.243  1.0
  Ba  Ba4  1  0.250  0.607  0.757  1.0
  Ba  Ba5  1  0.750  0.695  0.605  1.0
  Ba  Ba6  1  0.250  0.805  0.105  1.0
  Ba  Ba7  1  0.750  0.893  0.257  1.0
  Y  Y8  1  0.750  0.186  0.556  1.0
  Y  Y9  1  0.250  0.314  0.056  1.0
  Y  Y10  1  0.750  0.686  0.944  1.0
  Y  Y11  1  0.250  0.814  0.444  1.0
  F  F12  1  0.250  0.043  0.513  1.0
  F  F13  1  0.250  0.094  0.134  1.0
  F  F14  1  0.750  0.133  0.124  1.0
  F  F15  1  0.570  0.126  0.692  1.0
  F  F16  1  0.930  0.126  0.692  1.0
  F  F17  1  0.575  0.251  0.416  1.0
  F  F18  1  0.925  0.251  0.416  1.0
  F  F19  1  0.075  0.249  0.916  1.0
  F  F20  1  0.425  0.249  0.916  1.0
  F  F21  1  0.070  0.374  0.192  1.0
  F  F22  1  0.430  0.374  0.192  1.0
  F  F23  1  0.250  0.367  0.624  1.0
  F  F24  1  0.750  0.406  0.634  1.0
  F  F25  1  0.750  0.457  0.013  1.0
  F  F26  1  0.250  0.543  0.987  1.0
  F  F27  1  0.250  0.594  0.366  1.0
  F  F28  1  0.750  0.633  0.376  1.0
  F  F29  1  0.570  0.626  0.808  1.0
  F  F30  1  0.930  0.626  0.808  1.0
  F  F31  1  0.575  0.751  0.084  1.0
  F  F32  1  0.925  0.751  0.084  1.0
  F  F33  1  0.075  0.749  0.584  1.0
  F  F34  1  0.425  0.749  0.584  1.0
  F  F35  1  0.070  0.874  0.308  1.0
  F  F36  1  0.430  0.874  0.308  1.0
  F  F37  1  0.250  0.867  0.876  1.0
  F  F38  1  0.750  0.906  0.866  1.0
  F  F39  1  0.750  0.957  0.487  1.0
[/CIF]
.