The crystal structure described by KLu3F10 crystallizes in the cubic Fm-3m space group. K(1) is bonded to four equivalent F(2) and twelve equivalent F(1) atoms to form distorted edge-sharing KF16 tetrahedra. Lu(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent K(1) and two equivalent Lu(1) atoms. In the second F site, F(2) is bonded to one K(1) and three equivalent Lu(1) atoms to form a mixture of corner and edge-sharing FKLu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   7.926
_cell_angle_alpha   60.002
_cell_angle_beta   60.000
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   352.159
_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  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  Lu  Lu2  1  0.760  0.240  0.240  1.0
  Lu  Lu3  1  0.240  0.760  0.760  1.0
  Lu  Lu4  1  0.240  0.760  0.240  1.0
  Lu  Lu5  1  0.760  0.240  0.760  1.0
  Lu  Lu6  1  0.240  0.241  0.760  1.0
  Lu  Lu7  1  0.760  0.759  0.240  1.0
  F  F8  1  0.831  0.500  0.500  1.0
  F  F9  1  0.169  0.500  0.500  1.0
  F  F10  1  0.500  0.831  0.169  1.0
  F  F11  1  0.500  0.169  0.831  1.0
  F  F12  1  0.500  0.831  0.500  1.0
  F  F13  1  0.169  0.500  0.831  1.0
  F  F14  1  0.500  0.169  0.500  1.0
  F  F15  1  0.831  0.500  0.169  1.0
  F  F16  1  0.500  0.500  0.831  1.0
  F  F17  1  0.500  0.500  0.169  1.0
  F  F18  1  0.169  0.831  0.500  1.0
  F  F19  1  0.831  0.169  0.500  1.0
  F  F20  1  0.112  0.112  0.112  1.0
  F  F21  1  0.888  0.888  0.888  1.0
  F  F22  1  0.112  0.112  0.664  1.0
  F  F23  1  0.112  0.664  0.112  1.0
  F  F24  1  0.888  0.888  0.336  1.0
  F  F25  1  0.888  0.336  0.888  1.0
  F  F26  1  0.664  0.112  0.112  1.0
  F  F27  1  0.336  0.888  0.888  1.0
[/CIF]
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The crystal structure described by KLu3F10 crystallizes in the cubic Fm-3m space group. K(1) is bonded to four equivalent F(2) and twelve equivalent F(1) atoms to form distorted edge-sharing KF16 tetrahedra. Lu(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent K(1) and two equivalent Lu(1) atoms. In the second F site, F(2) is bonded to one K(1) and three equivalent Lu(1) atoms to form a mixture of corner and edge-sharing FKLu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   7.926
_cell_angle_alpha   60.002
_cell_angle_beta   60.000
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   352.159
_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  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  Lu  Lu2  1  0.760  0.240  0.240  1.0
  Lu  Lu3  1  0.240  0.760  0.760  1.0
  Lu  Lu4  1  0.240  0.760  0.240  1.0
  Lu  Lu5  1  0.760  0.240  0.760  1.0
  Lu  Lu6  1  0.240  0.241  0.760  1.0
  Lu  Lu7  1  0.760  0.759  0.240  1.0
  F  F8  1  0.831  0.500  0.500  1.0
  F  F9  1  0.169  0.500  0.500  1.0
  F  F10  1  0.500  0.831  0.169  1.0
  F  F11  1  0.500  0.169  0.831  1.0
  F  F12  1  0.500  0.831  0.500  1.0
  F  F13  1  0.169  0.500  0.831  1.0
  F  F14  1  0.500  0.169  0.500  1.0
  F  F15  1  0.831  0.500  0.169  1.0
  F  F16  1  0.500  0.500  0.831  1.0
  F  F17  1  0.500  0.500  0.169  1.0
  F  F18  1  0.169  0.831  0.500  1.0
  F  F19  1  0.831  0.169  0.500  1.0
  F  F20  1  0.112  0.112  0.112  1.0
  F  F21  1  0.888  0.888  0.888  1.0
  F  F22  1  0.112  0.112  0.664  1.0
  F  F23  1  0.112  0.664  0.112  1.0
  F  F24  1  0.888  0.888  0.336  1.0
  F  F25  1  0.888  0.336  0.888  1.0
  F  F26  1  0.664  0.112  0.112  1.0
  F  F27  1  0.336  0.888  0.888  1.0
[/CIF]
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