The compound described by U3TlF13 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), one F(7), one F(9), and two equivalent F(3) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to one F(7), two equivalent F(1), two equivalent F(6), two equivalent F(8), and two equivalent F(9) atoms. Tl(1) is bonded in a 1-coordinate geometry to one F(5) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one U(1) and one U(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent U(1) and one Tl(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one U(1) and one U(2) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one U(2) and two equivalent U(1) atoms. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent U(2) atoms. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one U(1) and one U(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3TlF13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.347
_cell_length_b   7.977
_cell_length_c   8.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.047
_cell_formula_units_Z   2
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
  U  U0  1  0.103  0.252  0.622  1.0
  U  U1  1  0.897  0.748  0.122  1.0
  U  U2  1  0.897  0.252  0.122  1.0
  U  U3  1  0.103  0.748  0.622  1.0
  U  U4  1  0.389  0.000  0.960  1.0
  U  U5  1  0.611  0.000  0.460  1.0
  Tl  Tl6  1  0.602  0.500  0.761  1.0
  Tl  Tl7  1  0.398  0.500  0.261  1.0
  F  F8  1  0.387  0.192  0.507  1.0
  F  F9  1  0.613  0.808  0.007  1.0
  F  F10  1  0.613  0.192  0.007  1.0
  F  F11  1  0.387  0.808  0.507  1.0
  F  F12  1  0.099  0.000  0.494  1.0
  F  F13  1  0.901  0.000  0.994  1.0
  F  F14  1  0.048  0.304  0.364  1.0
  F  F15  1  0.952  0.696  0.864  1.0
  F  F16  1  0.952  0.304  0.864  1.0
  F  F17  1  0.048  0.696  0.364  1.0
  F  F18  1  0.272  0.500  0.585  1.0
  F  F19  1  0.728  0.500  0.085  1.0
  F  F20  1  0.066  0.500  0.110  1.0
  F  F21  1  0.934  0.500  0.610  1.0
  F  F22  1  0.192  0.170  0.098  1.0
  F  F23  1  0.808  0.830  0.598  1.0
  F  F24  1  0.808  0.170  0.598  1.0
  F  F25  1  0.192  0.830  0.098  1.0
  F  F26  1  0.139  0.000  0.779  1.0
  F  F27  1  0.861  0.000  0.279  1.0
  F  F28  1  0.536  0.000  0.730  1.0
  F  F29  1  0.464  0.000  0.230  1.0
  F  F30  1  0.321  0.259  0.819  1.0
  F  F31  1  0.679  0.741  0.319  1.0
  F  F32  1  0.679  0.259  0.319  1.0
  F  F33  1  0.321  0.741  0.819  1.0
[/CIF]
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The compound described by U3TlF13 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), one F(7), one F(9), and two equivalent F(3) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to one F(7), two equivalent F(1), two equivalent F(6), two equivalent F(8), and two equivalent F(9) atoms. Tl(1) is bonded in a 1-coordinate geometry to one F(5) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one U(1) and one U(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent U(1) and one Tl(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one U(1) and one U(2) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one U(2) and two equivalent U(1) atoms. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent U(2) atoms. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one U(1) and one U(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3TlF13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.347
_cell_length_b   7.977
_cell_length_c   8.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.047
_cell_formula_units_Z   2
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
  U  U0  1  0.103  0.252  0.622  1.0
  U  U1  1  0.897  0.748  0.122  1.0
  U  U2  1  0.897  0.252  0.122  1.0
  U  U3  1  0.103  0.748  0.622  1.0
  U  U4  1  0.389  0.000  0.960  1.0
  U  U5  1  0.611  0.000  0.460  1.0
  Tl  Tl6  1  0.602  0.500  0.761  1.0
  Tl  Tl7  1  0.398  0.500  0.261  1.0
  F  F8  1  0.387  0.192  0.507  1.0
  F  F9  1  0.613  0.808  0.007  1.0
  F  F10  1  0.613  0.192  0.007  1.0
  F  F11  1  0.387  0.808  0.507  1.0
  F  F12  1  0.099  0.000  0.494  1.0
  F  F13  1  0.901  0.000  0.994  1.0
  F  F14  1  0.048  0.304  0.364  1.0
  F  F15  1  0.952  0.696  0.864  1.0
  F  F16  1  0.952  0.304  0.864  1.0
  F  F17  1  0.048  0.696  0.364  1.0
  F  F18  1  0.272  0.500  0.585  1.0
  F  F19  1  0.728  0.500  0.085  1.0
  F  F20  1  0.066  0.500  0.110  1.0
  F  F21  1  0.934  0.500  0.610  1.0
  F  F22  1  0.192  0.170  0.098  1.0
  F  F23  1  0.808  0.830  0.598  1.0
  F  F24  1  0.808  0.170  0.598  1.0
  F  F25  1  0.192  0.830  0.098  1.0
  F  F26  1  0.139  0.000  0.779  1.0
  F  F27  1  0.861  0.000  0.279  1.0
  F  F28  1  0.536  0.000  0.730  1.0
  F  F29  1  0.464  0.000  0.230  1.0
  F  F30  1  0.321  0.259  0.819  1.0
  F  F31  1  0.679  0.741  0.319  1.0
  F  F32  1  0.679  0.259  0.319  1.0
  F  F33  1  0.321  0.741  0.819  1.0
[/CIF]
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