The material structure described by Ba2YF7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(11), one F(12), one F(13), one F(14), one F(2), one F(3), one F(9), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(10), one F(11), one F(13), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(9) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(14), one F(2), one F(4), one F(6), one F(8), and one F(9) atom. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(12), one F(13), one F(14), one F(2), one F(5), and one F(7) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(11), one F(13), one F(3), one F(5), one F(6), and one F(7) atom. In the second Y site, Y(2) is bonded in a distorted octahedral geometry to one F(1), one F(12), one F(14), one F(2), one F(4), and one F(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one Y(2) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. is represented by the CIF card [CIF]
data_Ba2YF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.157
_cell_length_b   5.978
_cell_length_c   10.046
_cell_angle_alpha   89.660
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.038
_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  0.473  0.260  0.716  1.0
  Ba  Ba1  1  0.851  0.277  0.607  1.0
  Ba  Ba2  1  0.227  0.258  0.112  1.0
  Ba  Ba3  1  0.612  0.265  0.203  1.0
  Ba  Ba4  1  0.112  0.735  0.797  1.0
  Ba  Ba5  1  0.727  0.742  0.888  1.0
  Ba  Ba6  1  0.351  0.723  0.393  1.0
  Ba  Ba7  1  0.973  0.740  0.284  1.0
  Y  Y8  1  0.150  0.210  0.533  1.0
  Y  Y9  1  0.928  0.230  0.024  1.0
  Y  Y10  1  0.428  0.770  0.976  1.0
  Y  Y11  1  0.650  0.790  0.467  1.0
  F  F12  1  0.320  0.036  0.892  1.0
  F  F13  1  0.561  0.030  0.983  1.0
  F  F14  1  0.505  0.006  0.504  1.0
  F  F15  1  0.853  0.098  0.845  1.0
  F  F16  1  0.743  0.083  0.392  1.0
  F  F17  1  0.224  0.090  0.352  1.0
  F  F18  1  0.082  0.187  0.738  1.0
  F  F19  1  0.992  0.229  0.231  1.0
  F  F20  1  0.670  0.421  0.714  1.0
  F  F21  1  0.410  0.425  0.204  1.0
  F  F22  1  0.292  0.420  0.589  1.0
  F  F23  1  0.299  0.538  0.913  1.0
  F  F24  1  0.038  0.498  0.525  1.0
  F  F25  1  0.557  0.515  0.991  1.0
  F  F26  1  0.057  0.485  0.009  1.0
  F  F27  1  0.538  0.502  0.475  1.0
  F  F28  1  0.799  0.462  0.087  1.0
  F  F29  1  0.792  0.580  0.411  1.0
  F  F30  1  0.910  0.575  0.796  1.0
  F  F31  1  0.170  0.579  0.286  1.0
  F  F32  1  0.492  0.771  0.769  1.0
  F  F33  1  0.582  0.813  0.262  1.0
  F  F34  1  0.724  0.910  0.648  1.0
  F  F35  1  0.243  0.917  0.608  1.0
  F  F36  1  0.353  0.902  0.155  1.0
  F  F37  1  0.005  0.994  0.496  1.0
  F  F38  1  0.061  0.970  0.017  1.0
  F  F39  1  0.820  0.964  0.108  1.0
[/CIF]
.
The material structure described by Ba2YF7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(11), one F(12), one F(13), one F(14), one F(2), one F(3), one F(9), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(10), one F(11), one F(13), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(9) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(14), one F(2), one F(4), one F(6), one F(8), and one F(9) atom. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(12), one F(13), one F(14), one F(2), one F(5), and one F(7) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(11), one F(13), one F(3), one F(5), one F(6), and one F(7) atom. In the second Y site, Y(2) is bonded in a distorted octahedral geometry to one F(1), one F(12), one F(14), one F(2), one F(4), and one F(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one Y(2) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. is represented by the CIF card [CIF]
data_Ba2YF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.157
_cell_length_b   5.978
_cell_length_c   10.046
_cell_angle_alpha   89.660
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.038
_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  0.473  0.260  0.716  1.0
  Ba  Ba1  1  0.851  0.277  0.607  1.0
  Ba  Ba2  1  0.227  0.258  0.112  1.0
  Ba  Ba3  1  0.612  0.265  0.203  1.0
  Ba  Ba4  1  0.112  0.735  0.797  1.0
  Ba  Ba5  1  0.727  0.742  0.888  1.0
  Ba  Ba6  1  0.351  0.723  0.393  1.0
  Ba  Ba7  1  0.973  0.740  0.284  1.0
  Y  Y8  1  0.150  0.210  0.533  1.0
  Y  Y9  1  0.928  0.230  0.024  1.0
  Y  Y10  1  0.428  0.770  0.976  1.0
  Y  Y11  1  0.650  0.790  0.467  1.0
  F  F12  1  0.320  0.036  0.892  1.0
  F  F13  1  0.561  0.030  0.983  1.0
  F  F14  1  0.505  0.006  0.504  1.0
  F  F15  1  0.853  0.098  0.845  1.0
  F  F16  1  0.743  0.083  0.392  1.0
  F  F17  1  0.224  0.090  0.352  1.0
  F  F18  1  0.082  0.187  0.738  1.0
  F  F19  1  0.992  0.229  0.231  1.0
  F  F20  1  0.670  0.421  0.714  1.0
  F  F21  1  0.410  0.425  0.204  1.0
  F  F22  1  0.292  0.420  0.589  1.0
  F  F23  1  0.299  0.538  0.913  1.0
  F  F24  1  0.038  0.498  0.525  1.0
  F  F25  1  0.557  0.515  0.991  1.0
  F  F26  1  0.057  0.485  0.009  1.0
  F  F27  1  0.538  0.502  0.475  1.0
  F  F28  1  0.799  0.462  0.087  1.0
  F  F29  1  0.792  0.580  0.411  1.0
  F  F30  1  0.910  0.575  0.796  1.0
  F  F31  1  0.170  0.579  0.286  1.0
  F  F32  1  0.492  0.771  0.769  1.0
  F  F33  1  0.582  0.813  0.262  1.0
  F  F34  1  0.724  0.910  0.648  1.0
  F  F35  1  0.243  0.917  0.608  1.0
  F  F36  1  0.353  0.902  0.155  1.0
  F  F37  1  0.005  0.994  0.496  1.0
  F  F38  1  0.061  0.970  0.017  1.0
  F  F39  1  0.820  0.964  0.108  1.0
[/CIF]
.