The material described by CsBr2F7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one F(1), one F(3), one F(4), one F(6), two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to 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 distorted single-bond geometry to one Cs(1) and one Br(2) atom. In the second F site, F(7) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Br(2) atom. In the third F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Br(1) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Br(1) atom. In the fifth F site, F(3) is bonded in a distorted single-bond geometry to one Cs(1) and one Br(1) atom. In the sixth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Br(1), and one Br(2) atom. In the seventh F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Br(2) atom. is represented by the CIF file [CIF]
data_CsBr2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.636
_cell_length_b   8.047
_cell_length_c   14.191
_cell_angle_alpha   90.000
_cell_angle_beta   122.351
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.703
_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
  Cs  Cs0  1  0.878  0.916  0.310  1.0
  Cs  Cs1  1  0.122  0.416  0.190  1.0
  Cs  Cs2  1  0.122  0.084  0.690  1.0
  Cs  Cs3  1  0.878  0.584  0.810  1.0
  Br  Br4  1  0.239  0.925  0.121  1.0
  Br  Br5  1  0.761  0.425  0.379  1.0
  Br  Br6  1  0.761  0.075  0.879  1.0
  Br  Br7  1  0.239  0.575  0.621  1.0
  Br  Br8  1  0.519  0.721  0.981  1.0
  Br  Br9  1  0.481  0.221  0.519  1.0
  Br  Br10  1  0.481  0.279  0.019  1.0
  Br  Br11  1  0.519  0.779  0.481  1.0
  F  F12  1  0.390  0.114  0.200  1.0
  F  F13  1  0.610  0.614  0.300  1.0
  F  F14  1  0.610  0.886  0.800  1.0
  F  F15  1  0.390  0.386  0.700  1.0
  F  F16  1  0.084  0.733  0.043  1.0
  F  F17  1  0.916  0.233  0.457  1.0
  F  F18  1  0.916  0.267  0.957  1.0
  F  F19  1  0.084  0.767  0.543  1.0
  F  F20  1  0.047  0.975  0.155  1.0
  F  F21  1  0.953  0.475  0.345  1.0
  F  F22  1  0.953  0.025  0.845  1.0
  F  F23  1  0.047  0.525  0.655  1.0
  F  F24  1  0.467  0.885  0.081  1.0
  F  F25  1  0.533  0.385  0.419  1.0
  F  F26  1  0.533  0.115  0.919  1.0
  F  F27  1  0.467  0.615  0.581  1.0
  F  F28  1  0.270  0.778  0.847  1.0
  F  F29  1  0.730  0.278  0.653  1.0
  F  F30  1  0.730  0.222  0.153  1.0
  F  F31  1  0.270  0.722  0.347  1.0
  F  F32  1  0.583  0.582  0.904  1.0
  F  F33  1  0.417  0.082  0.596  1.0
  F  F34  1  0.417  0.418  0.096  1.0
  F  F35  1  0.583  0.918  0.404  1.0
  F  F36  1  0.766  0.655  0.113  1.0
  F  F37  1  0.234  0.155  0.387  1.0
  F  F38  1  0.234  0.345  0.887  1.0
  F  F39  1  0.766  0.845  0.613  1.0
[/CIF]
.
The material described by CsBr2F7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one F(1), one F(3), one F(4), one F(6), two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to 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 distorted single-bond geometry to one Cs(1) and one Br(2) atom. In the second F site, F(7) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Br(2) atom. In the third F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Br(1) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Br(1) atom. In the fifth F site, F(3) is bonded in a distorted single-bond geometry to one Cs(1) and one Br(1) atom. In the sixth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Br(1), and one Br(2) atom. In the seventh F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Br(2) atom. is represented by the CIF file [CIF]
data_CsBr2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.636
_cell_length_b   8.047
_cell_length_c   14.191
_cell_angle_alpha   90.000
_cell_angle_beta   122.351
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.703
_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
  Cs  Cs0  1  0.878  0.916  0.310  1.0
  Cs  Cs1  1  0.122  0.416  0.190  1.0
  Cs  Cs2  1  0.122  0.084  0.690  1.0
  Cs  Cs3  1  0.878  0.584  0.810  1.0
  Br  Br4  1  0.239  0.925  0.121  1.0
  Br  Br5  1  0.761  0.425  0.379  1.0
  Br  Br6  1  0.761  0.075  0.879  1.0
  Br  Br7  1  0.239  0.575  0.621  1.0
  Br  Br8  1  0.519  0.721  0.981  1.0
  Br  Br9  1  0.481  0.221  0.519  1.0
  Br  Br10  1  0.481  0.279  0.019  1.0
  Br  Br11  1  0.519  0.779  0.481  1.0
  F  F12  1  0.390  0.114  0.200  1.0
  F  F13  1  0.610  0.614  0.300  1.0
  F  F14  1  0.610  0.886  0.800  1.0
  F  F15  1  0.390  0.386  0.700  1.0
  F  F16  1  0.084  0.733  0.043  1.0
  F  F17  1  0.916  0.233  0.457  1.0
  F  F18  1  0.916  0.267  0.957  1.0
  F  F19  1  0.084  0.767  0.543  1.0
  F  F20  1  0.047  0.975  0.155  1.0
  F  F21  1  0.953  0.475  0.345  1.0
  F  F22  1  0.953  0.025  0.845  1.0
  F  F23  1  0.047  0.525  0.655  1.0
  F  F24  1  0.467  0.885  0.081  1.0
  F  F25  1  0.533  0.385  0.419  1.0
  F  F26  1  0.533  0.115  0.919  1.0
  F  F27  1  0.467  0.615  0.581  1.0
  F  F28  1  0.270  0.778  0.847  1.0
  F  F29  1  0.730  0.278  0.653  1.0
  F  F30  1  0.730  0.222  0.153  1.0
  F  F31  1  0.270  0.722  0.347  1.0
  F  F32  1  0.583  0.582  0.904  1.0
  F  F33  1  0.417  0.082  0.596  1.0
  F  F34  1  0.417  0.418  0.096  1.0
  F  F35  1  0.583  0.918  0.404  1.0
  F  F36  1  0.766  0.655  0.113  1.0
  F  F37  1  0.234  0.155  0.387  1.0
  F  F38  1  0.234  0.345  0.887  1.0
  F  F39  1  0.766  0.845  0.613  1.0
[/CIF]
.