The compound described by LiKTmF5 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Li(1) is bonded to one F(4), one F(5), and two equivalent F(3) atoms to form distorted corner-sharing LiF4 tetrahedra. Tm(1) is bonded in a 8-coordinate geometry to one F(3), one F(5), two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tm(1) atoms. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent Tm(1) atoms to form distorted edge-sharing FK2Tm2 tetrahedra. In the third F site, F(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Tm(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one K(1), one Li(1), and two equivalent Tm(1) atoms. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), and one Tm(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiTmF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   6.459
_cell_length_c   11.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.023
_symmetry_Int_Tables_number   1
_cell_volume   439.607
_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
  K  K0  1  0.543  0.059  0.350  1.0
  K  K1  1  0.957  0.941  0.850  1.0
  K  K2  1  0.457  0.941  0.650  1.0
  K  K3  1  0.043  0.059  0.150  1.0
  Li  Li4  1  0.964  0.564  0.247  1.0
  Li  Li5  1  0.536  0.436  0.747  1.0
  Li  Li6  1  0.036  0.436  0.753  1.0
  Li  Li7  1  0.464  0.564  0.253  1.0
  Tm  Tm8  1  0.820  0.682  0.498  1.0
  Tm  Tm9  1  0.680  0.318  0.998  1.0
  Tm  Tm10  1  0.180  0.318  0.502  1.0
  Tm  Tm11  1  0.320  0.682  0.002  1.0
  F  F12  1  0.453  0.664  0.471  1.0
  F  F13  1  0.047  0.336  0.971  1.0
  F  F14  1  0.547  0.336  0.529  1.0
  F  F15  1  0.953  0.664  0.029  1.0
  F  F16  1  0.829  0.045  0.510  1.0
  F  F17  1  0.671  0.955  0.010  1.0
  F  F18  1  0.171  0.955  0.490  1.0
  F  F19  1  0.329  0.045  0.990  1.0
  F  F20  1  0.281  0.727  0.192  1.0
  F  F21  1  0.219  0.273  0.692  1.0
  F  F22  1  0.719  0.273  0.808  1.0
  F  F23  1  0.781  0.727  0.308  1.0
  F  F24  1  0.964  0.465  0.397  1.0
  F  F25  1  0.536  0.535  0.897  1.0
  F  F26  1  0.036  0.535  0.603  1.0
  F  F27  1  0.464  0.465  0.103  1.0
  F  F28  1  0.776  0.294  0.172  1.0
  F  F29  1  0.724  0.706  0.672  1.0
  F  F30  1  0.224  0.706  0.828  1.0
  F  F31  1  0.276  0.294  0.328  1.0
[/CIF]
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The compound described by LiKTmF5 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Li(1) is bonded to one F(4), one F(5), and two equivalent F(3) atoms to form distorted corner-sharing LiF4 tetrahedra. Tm(1) is bonded in a 8-coordinate geometry to one F(3), one F(5), two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tm(1) atoms. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent Tm(1) atoms to form distorted edge-sharing FK2Tm2 tetrahedra. In the third F site, F(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Tm(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one K(1), one Li(1), and two equivalent Tm(1) atoms. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), and one Tm(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiTmF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   6.459
_cell_length_c   11.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.023
_symmetry_Int_Tables_number   1
_cell_volume   439.607
_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
  K  K0  1  0.543  0.059  0.350  1.0
  K  K1  1  0.957  0.941  0.850  1.0
  K  K2  1  0.457  0.941  0.650  1.0
  K  K3  1  0.043  0.059  0.150  1.0
  Li  Li4  1  0.964  0.564  0.247  1.0
  Li  Li5  1  0.536  0.436  0.747  1.0
  Li  Li6  1  0.036  0.436  0.753  1.0
  Li  Li7  1  0.464  0.564  0.253  1.0
  Tm  Tm8  1  0.820  0.682  0.498  1.0
  Tm  Tm9  1  0.680  0.318  0.998  1.0
  Tm  Tm10  1  0.180  0.318  0.502  1.0
  Tm  Tm11  1  0.320  0.682  0.002  1.0
  F  F12  1  0.453  0.664  0.471  1.0
  F  F13  1  0.047  0.336  0.971  1.0
  F  F14  1  0.547  0.336  0.529  1.0
  F  F15  1  0.953  0.664  0.029  1.0
  F  F16  1  0.829  0.045  0.510  1.0
  F  F17  1  0.671  0.955  0.010  1.0
  F  F18  1  0.171  0.955  0.490  1.0
  F  F19  1  0.329  0.045  0.990  1.0
  F  F20  1  0.281  0.727  0.192  1.0
  F  F21  1  0.219  0.273  0.692  1.0
  F  F22  1  0.719  0.273  0.808  1.0
  F  F23  1  0.781  0.727  0.308  1.0
  F  F24  1  0.964  0.465  0.397  1.0
  F  F25  1  0.536  0.535  0.897  1.0
  F  F26  1  0.036  0.535  0.603  1.0
  F  F27  1  0.464  0.465  0.103  1.0
  F  F28  1  0.776  0.294  0.172  1.0
  F  F29  1  0.724  0.706  0.672  1.0
  F  F30  1  0.224  0.706  0.828  1.0
  F  F31  1  0.276  0.294  0.328  1.0
[/CIF]
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