The structure described by K3GdF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. In the second K site, K(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Gd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. Gd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form GdF6 octahedra that share corners with six equivalent K(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one K(2), two equivalent K(1), and one Gd(1) atom to form distorted corner-sharing FK3Gd tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Gd(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one K(2), three equivalent K(1), and one Gd(1) atom. is represented by the CIF file [CIF]
data_K3GdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.611
_cell_length_b   6.321
_cell_length_c   10.834
_cell_angle_alpha   55.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.292
_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
  K  K0  1  0.943  0.722  0.758  1.0
  K  K1  1  0.443  0.278  0.742  1.0
  K  K2  1  0.057  0.278  0.242  1.0
  K  K3  1  0.557  0.722  0.258  1.0
  K  K4  1  0.000  0.500  0.500  1.0
  K  K5  1  0.500  0.500  0.000  1.0
  Gd  Gd6  1  0.500  0.000  0.500  1.0
  Gd  Gd7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.933  0.897  0.228  1.0
  F  F9  1  0.433  0.103  0.272  1.0
  F  F10  1  0.067  0.103  0.772  1.0
  F  F11  1  0.567  0.897  0.728  1.0
  F  F12  1  0.729  0.253  0.921  1.0
  F  F13  1  0.229  0.747  0.579  1.0
  F  F14  1  0.271  0.747  0.079  1.0
  F  F15  1  0.771  0.253  0.421  1.0
  F  F16  1  0.321  0.336  0.448  1.0
  F  F17  1  0.821  0.664  0.052  1.0
  F  F18  1  0.679  0.664  0.552  1.0
  F  F19  1  0.179  0.336  0.948  1.0
[/CIF]
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The structure described by K3GdF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. In the second K site, K(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Gd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. Gd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form GdF6 octahedra that share corners with six equivalent K(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one K(2), two equivalent K(1), and one Gd(1) atom to form distorted corner-sharing FK3Gd tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Gd(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one K(2), three equivalent K(1), and one Gd(1) atom. is represented by the CIF file [CIF]
data_K3GdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.611
_cell_length_b   6.321
_cell_length_c   10.834
_cell_angle_alpha   55.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.292
_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
  K  K0  1  0.943  0.722  0.758  1.0
  K  K1  1  0.443  0.278  0.742  1.0
  K  K2  1  0.057  0.278  0.242  1.0
  K  K3  1  0.557  0.722  0.258  1.0
  K  K4  1  0.000  0.500  0.500  1.0
  K  K5  1  0.500  0.500  0.000  1.0
  Gd  Gd6  1  0.500  0.000  0.500  1.0
  Gd  Gd7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.933  0.897  0.228  1.0
  F  F9  1  0.433  0.103  0.272  1.0
  F  F10  1  0.067  0.103  0.772  1.0
  F  F11  1  0.567  0.897  0.728  1.0
  F  F12  1  0.729  0.253  0.921  1.0
  F  F13  1  0.229  0.747  0.579  1.0
  F  F14  1  0.271  0.747  0.079  1.0
  F  F15  1  0.771  0.253  0.421  1.0
  F  F16  1  0.321  0.336  0.448  1.0
  F  F17  1  0.821  0.664  0.052  1.0
  F  F18  1  0.679  0.664  0.552  1.0
  F  F19  1  0.179  0.336  0.948  1.0
[/CIF]
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