The material described by TlSnF7 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(7) atoms. Sn(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent Tl(1) atoms. In the second F site, F(1) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the fourth F site, F(3) is bonded in a linear geometry to one Tl(1) and one Sn(1) atom. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the seventh F site, F(6) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_TlSnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.436
_cell_length_b   8.765
_cell_length_c   11.939
_cell_angle_alpha   62.447
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.265
_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
  Tl  Tl0  1  0.759  0.815  0.264  1.0
  Tl  Tl1  1  0.259  0.185  0.236  1.0
  Tl  Tl2  1  0.241  0.185  0.736  1.0
  Tl  Tl3  1  0.741  0.815  0.764  1.0
  Sn  Sn4  1  0.240  0.729  0.543  1.0
  Sn  Sn5  1  0.740  0.271  0.957  1.0
  Sn  Sn6  1  0.760  0.271  0.457  1.0
  Sn  Sn7  1  0.260  0.729  0.043  1.0
  F  F8  1  0.924  0.734  0.458  1.0
  F  F9  1  0.424  0.266  0.042  1.0
  F  F10  1  0.076  0.266  0.542  1.0
  F  F11  1  0.576  0.734  0.958  1.0
  F  F12  1  0.061  0.708  0.913  1.0
  F  F13  1  0.561  0.292  0.587  1.0
  F  F14  1  0.939  0.292  0.087  1.0
  F  F15  1  0.439  0.708  0.413  1.0
  F  F16  1  0.709  0.524  0.866  1.0
  F  F17  1  0.209  0.476  0.634  1.0
  F  F18  1  0.291  0.476  0.134  1.0
  F  F19  1  0.791  0.524  0.366  1.0
  F  F20  1  0.743  0.018  0.050  1.0
  F  F21  1  0.243  0.982  0.450  1.0
  F  F22  1  0.257  0.982  0.950  1.0
  F  F23  1  0.757  0.018  0.550  1.0
  F  F24  1  0.049  0.735  0.683  1.0
  F  F25  1  0.549  0.265  0.817  1.0
  F  F26  1  0.951  0.265  0.317  1.0
  F  F27  1  0.451  0.735  0.183  1.0
  F  F28  1  0.035  0.282  0.857  1.0
  F  F29  1  0.535  0.718  0.643  1.0
  F  F30  1  0.965  0.718  0.143  1.0
  F  F31  1  0.465  0.282  0.357  1.0
  F  F32  1  0.107  0.959  0.230  1.0
  F  F33  1  0.607  0.041  0.270  1.0
  F  F34  1  0.893  0.041  0.770  1.0
  F  F35  1  0.393  0.959  0.730  1.0
[/CIF]
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The material described by TlSnF7 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(7) atoms. Sn(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent Tl(1) atoms. In the second F site, F(1) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the fourth F site, F(3) is bonded in a linear geometry to one Tl(1) and one Sn(1) atom. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. In the seventh F site, F(6) is bonded in a bent 150 degrees geometry to one Tl(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_TlSnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.436
_cell_length_b   8.765
_cell_length_c   11.939
_cell_angle_alpha   62.447
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.265
_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
  Tl  Tl0  1  0.759  0.815  0.264  1.0
  Tl  Tl1  1  0.259  0.185  0.236  1.0
  Tl  Tl2  1  0.241  0.185  0.736  1.0
  Tl  Tl3  1  0.741  0.815  0.764  1.0
  Sn  Sn4  1  0.240  0.729  0.543  1.0
  Sn  Sn5  1  0.740  0.271  0.957  1.0
  Sn  Sn6  1  0.760  0.271  0.457  1.0
  Sn  Sn7  1  0.260  0.729  0.043  1.0
  F  F8  1  0.924  0.734  0.458  1.0
  F  F9  1  0.424  0.266  0.042  1.0
  F  F10  1  0.076  0.266  0.542  1.0
  F  F11  1  0.576  0.734  0.958  1.0
  F  F12  1  0.061  0.708  0.913  1.0
  F  F13  1  0.561  0.292  0.587  1.0
  F  F14  1  0.939  0.292  0.087  1.0
  F  F15  1  0.439  0.708  0.413  1.0
  F  F16  1  0.709  0.524  0.866  1.0
  F  F17  1  0.209  0.476  0.634  1.0
  F  F18  1  0.291  0.476  0.134  1.0
  F  F19  1  0.791  0.524  0.366  1.0
  F  F20  1  0.743  0.018  0.050  1.0
  F  F21  1  0.243  0.982  0.450  1.0
  F  F22  1  0.257  0.982  0.950  1.0
  F  F23  1  0.757  0.018  0.550  1.0
  F  F24  1  0.049  0.735  0.683  1.0
  F  F25  1  0.549  0.265  0.817  1.0
  F  F26  1  0.951  0.265  0.317  1.0
  F  F27  1  0.451  0.735  0.183  1.0
  F  F28  1  0.035  0.282  0.857  1.0
  F  F29  1  0.535  0.718  0.643  1.0
  F  F30  1  0.965  0.718  0.143  1.0
  F  F31  1  0.465  0.282  0.357  1.0
  F  F32  1  0.107  0.959  0.230  1.0
  F  F33  1  0.607  0.041  0.270  1.0
  F  F34  1  0.893  0.041  0.770  1.0
  F  F35  1  0.393  0.959  0.730  1.0
[/CIF]
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