The material described by Ba2YF7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(7), two equivalent F(5), and two equivalent F(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(7), two equivalent F(2), and two equivalent F(3) atoms. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the third F site, F(3) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth F site, F(5) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the sixth F site, F(6) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the seventh F site, F(7) is bonded in a 3-coordinate 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   13.088
_cell_length_b   5.788
_cell_length_c   8.818
_cell_angle_alpha   89.386
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   667.946
_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  0.221  0.740  0.058  1.0
  Ba  Ba1  1  0.564  0.740  0.174  1.0
  Ba  Ba2  1  0.064  0.260  0.326  1.0
  Ba  Ba3  1  0.721  0.260  0.442  1.0
  Ba  Ba4  1  0.279  0.740  0.558  1.0
  Ba  Ba5  1  0.936  0.740  0.674  1.0
  Ba  Ba6  1  0.436  0.260  0.826  1.0
  Ba  Ba7  1  0.779  0.260  0.942  1.0
  Y  Y8  1  0.876  0.777  0.210  1.0
  Y  Y9  1  0.376  0.223  0.290  1.0
  Y  Y10  1  0.624  0.777  0.710  1.0
  Y  Y11  1  0.124  0.223  0.790  1.0
  F  F12  1  0.141  0.288  0.035  1.0
  F  F13  1  0.395  0.010  0.081  1.0
  F  F14  1  0.396  0.482  0.097  1.0
  F  F15  1  0.927  0.123  0.127  1.0
  F  F16  1  0.748  0.518  0.191  1.0
  F  F17  1  0.734  0.990  0.197  1.0
  F  F18  1  0.042  0.707  0.214  1.0
  F  F19  1  0.542  0.293  0.286  1.0
  F  F20  1  0.234  0.010  0.303  1.0
  F  F21  1  0.248  0.482  0.309  1.0
  F  F22  1  0.427  0.877  0.373  1.0
  F  F23  1  0.896  0.518  0.403  1.0
  F  F24  1  0.895  0.990  0.419  1.0
  F  F25  1  0.641  0.712  0.465  1.0
  F  F26  1  0.359  0.288  0.535  1.0
  F  F27  1  0.105  0.010  0.581  1.0
  F  F28  1  0.104  0.482  0.597  1.0
  F  F29  1  0.573  0.123  0.627  1.0
  F  F30  1  0.752  0.518  0.691  1.0
  F  F31  1  0.766  0.990  0.697  1.0
  F  F32  1  0.458  0.707  0.714  1.0
  F  F33  1  0.958  0.293  0.786  1.0
  F  F34  1  0.266  0.010  0.803  1.0
  F  F35  1  0.252  0.482  0.809  1.0
  F  F36  1  0.073  0.877  0.873  1.0
  F  F37  1  0.604  0.518  0.903  1.0
  F  F38  1  0.605  0.990  0.919  1.0
  F  F39  1  0.859  0.712  0.965  1.0
[/CIF]
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The material described by Ba2YF7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(7), two equivalent F(5), and two equivalent F(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(7), two equivalent F(2), and two equivalent F(3) atoms. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the third F site, F(3) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth F site, F(5) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the sixth F site, F(6) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of corner and edge-sharing FBa3Y tetrahedra. In the seventh F site, F(7) is bonded in a 3-coordinate 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   13.088
_cell_length_b   5.788
_cell_length_c   8.818
_cell_angle_alpha   89.386
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   667.946
_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  0.221  0.740  0.058  1.0
  Ba  Ba1  1  0.564  0.740  0.174  1.0
  Ba  Ba2  1  0.064  0.260  0.326  1.0
  Ba  Ba3  1  0.721  0.260  0.442  1.0
  Ba  Ba4  1  0.279  0.740  0.558  1.0
  Ba  Ba5  1  0.936  0.740  0.674  1.0
  Ba  Ba6  1  0.436  0.260  0.826  1.0
  Ba  Ba7  1  0.779  0.260  0.942  1.0
  Y  Y8  1  0.876  0.777  0.210  1.0
  Y  Y9  1  0.376  0.223  0.290  1.0
  Y  Y10  1  0.624  0.777  0.710  1.0
  Y  Y11  1  0.124  0.223  0.790  1.0
  F  F12  1  0.141  0.288  0.035  1.0
  F  F13  1  0.395  0.010  0.081  1.0
  F  F14  1  0.396  0.482  0.097  1.0
  F  F15  1  0.927  0.123  0.127  1.0
  F  F16  1  0.748  0.518  0.191  1.0
  F  F17  1  0.734  0.990  0.197  1.0
  F  F18  1  0.042  0.707  0.214  1.0
  F  F19  1  0.542  0.293  0.286  1.0
  F  F20  1  0.234  0.010  0.303  1.0
  F  F21  1  0.248  0.482  0.309  1.0
  F  F22  1  0.427  0.877  0.373  1.0
  F  F23  1  0.896  0.518  0.403  1.0
  F  F24  1  0.895  0.990  0.419  1.0
  F  F25  1  0.641  0.712  0.465  1.0
  F  F26  1  0.359  0.288  0.535  1.0
  F  F27  1  0.105  0.010  0.581  1.0
  F  F28  1  0.104  0.482  0.597  1.0
  F  F29  1  0.573  0.123  0.627  1.0
  F  F30  1  0.752  0.518  0.691  1.0
  F  F31  1  0.766  0.990  0.697  1.0
  F  F32  1  0.458  0.707  0.714  1.0
  F  F33  1  0.958  0.293  0.786  1.0
  F  F34  1  0.266  0.010  0.803  1.0
  F  F35  1  0.252  0.482  0.809  1.0
  F  F36  1  0.073  0.877  0.873  1.0
  F  F37  1  0.604  0.518  0.903  1.0
  F  F38  1  0.605  0.990  0.919  1.0
  F  F39  1  0.859  0.712  0.965  1.0
[/CIF]
.