The compound described by Ba2TlF7 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(2), one F(4), one F(5), one F(6), one F(7), two equivalent F(1), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), two equivalent F(4), and two equivalent F(7) atoms. Tl(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(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Tl(1) atom. In the second F site, F(7) is bonded to one Ba(1), two equivalent Ba(2), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the third F site, F(1) is bonded to one Ba(2), two equivalent Ba(1), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Tl(1) atom. In the fifth F site, F(3) is bonded to one Ba(2), two equivalent Ba(1), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the sixth F site, F(4) is bonded to one Ba(1), two equivalent Ba(2), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the seventh F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2TlF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.744
_cell_length_b   8.840
_cell_length_c   13.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.434
_symmetry_Int_Tables_number   1
_cell_volume   665.247
_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  0.259  0.946  0.721  1.0
  Ba  Ba1  1  0.741  0.054  0.279  1.0
  Ba  Ba2  1  0.741  0.554  0.221  1.0
  Ba  Ba3  1  0.259  0.446  0.779  1.0
  Ba  Ba4  1  0.743  0.675  0.562  1.0
  Ba  Ba5  1  0.257  0.325  0.438  1.0
  Ba  Ba6  1  0.257  0.825  0.062  1.0
  Ba  Ba7  1  0.743  0.175  0.938  1.0
  Tl  Tl8  1  0.777  0.712  0.876  1.0
  Tl  Tl9  1  0.223  0.288  0.124  1.0
  Tl  Tl10  1  0.223  0.788  0.376  1.0
  Tl  Tl11  1  0.777  0.212  0.624  1.0
  F  F12  1  0.006  0.801  0.233  1.0
  F  F13  1  0.994  0.199  0.767  1.0
  F  F14  1  0.994  0.699  0.733  1.0
  F  F15  1  0.006  0.301  0.267  1.0
  F  F16  1  0.712  0.968  0.641  1.0
  F  F17  1  0.288  0.032  0.359  1.0
  F  F18  1  0.288  0.532  0.141  1.0
  F  F19  1  0.712  0.468  0.859  1.0
  F  F20  1  0.520  0.694  0.747  1.0
  F  F21  1  0.480  0.306  0.253  1.0
  F  F22  1  0.480  0.806  0.247  1.0
  F  F23  1  0.520  0.194  0.753  1.0
  F  F24  1  0.519  0.905  0.896  1.0
  F  F25  1  0.481  0.095  0.104  1.0
  F  F26  1  0.481  0.595  0.396  1.0
  F  F27  1  0.519  0.405  0.604  1.0
  F  F28  1  0.876  0.874  0.427  1.0
  F  F29  1  0.124  0.126  0.573  1.0
  F  F30  1  0.124  0.626  0.927  1.0
  F  F31  1  0.876  0.374  0.073  1.0
  F  F32  1  0.287  0.780  0.542  1.0
  F  F33  1  0.713  0.220  0.458  1.0
  F  F34  1  0.713  0.720  0.042  1.0
  F  F35  1  0.287  0.280  0.958  1.0
  F  F36  1  0.994  0.922  0.895  1.0
  F  F37  1  0.006  0.078  0.105  1.0
  F  F38  1  0.006  0.578  0.395  1.0
  F  F39  1  0.994  0.422  0.605  1.0
[/CIF]
.
The compound described by Ba2TlF7 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(2), one F(4), one F(5), one F(6), one F(7), two equivalent F(1), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), two equivalent F(4), and two equivalent F(7) atoms. Tl(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(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Tl(1) atom. In the second F site, F(7) is bonded to one Ba(1), two equivalent Ba(2), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the third F site, F(1) is bonded to one Ba(2), two equivalent Ba(1), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Tl(1) atom. In the fifth F site, F(3) is bonded to one Ba(2), two equivalent Ba(1), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the sixth F site, F(4) is bonded to one Ba(1), two equivalent Ba(2), and one Tl(1) atom to form a mixture of edge and corner-sharing FBa3Tl tetrahedra. In the seventh F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2TlF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.744
_cell_length_b   8.840
_cell_length_c   13.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.434
_symmetry_Int_Tables_number   1
_cell_volume   665.247
_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  0.259  0.946  0.721  1.0
  Ba  Ba1  1  0.741  0.054  0.279  1.0
  Ba  Ba2  1  0.741  0.554  0.221  1.0
  Ba  Ba3  1  0.259  0.446  0.779  1.0
  Ba  Ba4  1  0.743  0.675  0.562  1.0
  Ba  Ba5  1  0.257  0.325  0.438  1.0
  Ba  Ba6  1  0.257  0.825  0.062  1.0
  Ba  Ba7  1  0.743  0.175  0.938  1.0
  Tl  Tl8  1  0.777  0.712  0.876  1.0
  Tl  Tl9  1  0.223  0.288  0.124  1.0
  Tl  Tl10  1  0.223  0.788  0.376  1.0
  Tl  Tl11  1  0.777  0.212  0.624  1.0
  F  F12  1  0.006  0.801  0.233  1.0
  F  F13  1  0.994  0.199  0.767  1.0
  F  F14  1  0.994  0.699  0.733  1.0
  F  F15  1  0.006  0.301  0.267  1.0
  F  F16  1  0.712  0.968  0.641  1.0
  F  F17  1  0.288  0.032  0.359  1.0
  F  F18  1  0.288  0.532  0.141  1.0
  F  F19  1  0.712  0.468  0.859  1.0
  F  F20  1  0.520  0.694  0.747  1.0
  F  F21  1  0.480  0.306  0.253  1.0
  F  F22  1  0.480  0.806  0.247  1.0
  F  F23  1  0.520  0.194  0.753  1.0
  F  F24  1  0.519  0.905  0.896  1.0
  F  F25  1  0.481  0.095  0.104  1.0
  F  F26  1  0.481  0.595  0.396  1.0
  F  F27  1  0.519  0.405  0.604  1.0
  F  F28  1  0.876  0.874  0.427  1.0
  F  F29  1  0.124  0.126  0.573  1.0
  F  F30  1  0.124  0.626  0.927  1.0
  F  F31  1  0.876  0.374  0.073  1.0
  F  F32  1  0.287  0.780  0.542  1.0
  F  F33  1  0.713  0.220  0.458  1.0
  F  F34  1  0.713  0.720  0.042  1.0
  F  F35  1  0.287  0.280  0.958  1.0
  F  F36  1  0.994  0.922  0.895  1.0
  F  F37  1  0.006  0.078  0.105  1.0
  F  F38  1  0.006  0.578  0.395  1.0
  F  F39  1  0.994  0.422  0.605  1.0
[/CIF]
.