The material described by K2TmF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Tm(1) is bonded to one F(1), one F(2), one F(3), and four equivalent F(4) atoms to form distorted edge-sharing TmF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Tm(1) atom to form a mixture of distorted corner, face, and edge-sharing FK4Tm trigonal bipyramids. In the second F site, F(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Tm(1) atom. In the third F site, F(3) is bonded to four equivalent K(1) and one Tm(1) atom to form a mixture of distorted corner, face, and edge-sharing FK4Tm trigonal bipyramids. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_K2TmF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.518
_cell_length_b   7.111
_cell_length_c   10.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.434
_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  0.537  0.496  0.829  1.0
  K  K1  1  0.463  0.504  0.171  1.0
  K  K2  1  0.037  0.504  0.671  1.0
  K  K3  1  0.463  0.996  0.171  1.0
  K  K4  1  0.963  0.496  0.329  1.0
  K  K5  1  0.537  0.004  0.829  1.0
  K  K6  1  0.963  0.004  0.329  1.0
  K  K7  1  0.037  0.996  0.671  1.0
  Tm  Tm8  1  0.564  0.750  0.503  1.0
  Tm  Tm9  1  0.436  0.250  0.497  1.0
  Tm  Tm10  1  0.064  0.250  0.997  1.0
  Tm  Tm11  1  0.936  0.750  0.003  1.0
  F  F12  1  0.841  0.750  0.809  1.0
  F  F13  1  0.159  0.250  0.191  1.0
  F  F14  1  0.341  0.250  0.691  1.0
  F  F15  1  0.659  0.750  0.309  1.0
  F  F16  1  0.372  0.750  0.665  1.0
  F  F17  1  0.628  0.250  0.335  1.0
  F  F18  1  0.872  0.250  0.835  1.0
  F  F19  1  0.128  0.750  0.165  1.0
  F  F20  1  0.892  0.750  0.513  1.0
  F  F21  1  0.108  0.250  0.487  1.0
  F  F22  1  0.392  0.250  0.987  1.0
  F  F23  1  0.608  0.750  0.013  1.0
  F  F24  1  0.647  0.036  0.575  1.0
  F  F25  1  0.353  0.964  0.425  1.0
  F  F26  1  0.147  0.964  0.925  1.0
  F  F27  1  0.353  0.536  0.425  1.0
  F  F28  1  0.853  0.036  0.075  1.0
  F  F29  1  0.647  0.464  0.575  1.0
  F  F30  1  0.853  0.464  0.075  1.0
  F  F31  1  0.147  0.536  0.925  1.0
[/CIF]
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The material described by K2TmF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Tm(1) is bonded to one F(1), one F(2), one F(3), and four equivalent F(4) atoms to form distorted edge-sharing TmF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Tm(1) atom to form a mixture of distorted corner, face, and edge-sharing FK4Tm trigonal bipyramids. In the second F site, F(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Tm(1) atom. In the third F site, F(3) is bonded to four equivalent K(1) and one Tm(1) atom to form a mixture of distorted corner, face, and edge-sharing FK4Tm trigonal bipyramids. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_K2TmF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.518
_cell_length_b   7.111
_cell_length_c   10.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.434
_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  0.537  0.496  0.829  1.0
  K  K1  1  0.463  0.504  0.171  1.0
  K  K2  1  0.037  0.504  0.671  1.0
  K  K3  1  0.463  0.996  0.171  1.0
  K  K4  1  0.963  0.496  0.329  1.0
  K  K5  1  0.537  0.004  0.829  1.0
  K  K6  1  0.963  0.004  0.329  1.0
  K  K7  1  0.037  0.996  0.671  1.0
  Tm  Tm8  1  0.564  0.750  0.503  1.0
  Tm  Tm9  1  0.436  0.250  0.497  1.0
  Tm  Tm10  1  0.064  0.250  0.997  1.0
  Tm  Tm11  1  0.936  0.750  0.003  1.0
  F  F12  1  0.841  0.750  0.809  1.0
  F  F13  1  0.159  0.250  0.191  1.0
  F  F14  1  0.341  0.250  0.691  1.0
  F  F15  1  0.659  0.750  0.309  1.0
  F  F16  1  0.372  0.750  0.665  1.0
  F  F17  1  0.628  0.250  0.335  1.0
  F  F18  1  0.872  0.250  0.835  1.0
  F  F19  1  0.128  0.750  0.165  1.0
  F  F20  1  0.892  0.750  0.513  1.0
  F  F21  1  0.108  0.250  0.487  1.0
  F  F22  1  0.392  0.250  0.987  1.0
  F  F23  1  0.608  0.750  0.013  1.0
  F  F24  1  0.647  0.036  0.575  1.0
  F  F25  1  0.353  0.964  0.425  1.0
  F  F26  1  0.147  0.964  0.925  1.0
  F  F27  1  0.353  0.536  0.425  1.0
  F  F28  1  0.853  0.036  0.075  1.0
  F  F29  1  0.647  0.464  0.575  1.0
  F  F30  1  0.853  0.464  0.075  1.0
  F  F31  1  0.147  0.536  0.925  1.0
[/CIF]
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