The crystal structure described by KYb3F10 crystallizes in the cubic Fm-3m space group. K(1) is bonded in a 16-coordinate geometry to four equivalent F(2) and twelve equivalent F(1) atoms. Yb(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 distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded to one K(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing FKYb3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KYb3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.032
_cell_length_b   8.031
_cell_length_c   8.033
_cell_angle_alpha   59.997
_cell_angle_beta   59.988
_cell_angle_gamma   60.010
_symmetry_Int_Tables_number   1
_cell_volume   366.432
_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
  Yb  Yb2  1  0.719  0.281  0.281  1.0
  Yb  Yb3  1  0.281  0.281  0.719  1.0
  Yb  Yb4  1  0.719  0.281  0.719  1.0
  Yb  Yb5  1  0.281  0.719  0.719  1.0
  Yb  Yb6  1  0.281  0.719  0.281  1.0
  Yb  Yb7  1  0.719  0.719  0.281  1.0
  F  F8  1  0.000  0.628  0.372  1.0
  F  F9  1  0.372  0.628  1.000  1.0
  F  F10  1  0.000  0.628  0.000  1.0
  F  F11  1  0.372  0.000  0.000  1.0
  F  F12  1  0.388  0.838  0.387  1.0
  F  F13  1  0.613  0.613  0.613  1.0
  F  F14  1  0.838  0.387  0.387  1.0
  F  F15  1  0.000  0.000  0.372  1.0
  F  F16  1  0.387  0.387  0.838  1.0
  F  F17  1  0.387  0.387  0.387  1.0
  F  F18  1  0.613  0.613  0.162  1.0
  F  F19  1  1.000  0.372  0.628  1.0
  F  F20  1  0.628  0.000  0.000  1.0
  F  F21  1  0.628  0.000  0.372  1.0
  F  F22  1  0.372  1.000  0.628  1.0
  F  F23  1  1.000  0.372  0.000  1.0
  F  F24  1  0.613  0.162  0.613  1.0
  F  F25  1  0.628  0.372  1.000  1.0
  F  F26  1  0.162  0.613  0.613  1.0
  F  F27  1  0.000  0.000  0.627  1.0
[/CIF]
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The crystal structure described by KYb3F10 crystallizes in the cubic Fm-3m space group. K(1) is bonded in a 16-coordinate geometry to four equivalent F(2) and twelve equivalent F(1) atoms. Yb(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 distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded to one K(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing FKYb3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KYb3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.032
_cell_length_b   8.031
_cell_length_c   8.033
_cell_angle_alpha   59.997
_cell_angle_beta   59.988
_cell_angle_gamma   60.010
_symmetry_Int_Tables_number   1
_cell_volume   366.432
_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
  Yb  Yb2  1  0.719  0.281  0.281  1.0
  Yb  Yb3  1  0.281  0.281  0.719  1.0
  Yb  Yb4  1  0.719  0.281  0.719  1.0
  Yb  Yb5  1  0.281  0.719  0.719  1.0
  Yb  Yb6  1  0.281  0.719  0.281  1.0
  Yb  Yb7  1  0.719  0.719  0.281  1.0
  F  F8  1  0.000  0.628  0.372  1.0
  F  F9  1  0.372  0.628  1.000  1.0
  F  F10  1  0.000  0.628  0.000  1.0
  F  F11  1  0.372  0.000  0.000  1.0
  F  F12  1  0.388  0.838  0.387  1.0
  F  F13  1  0.613  0.613  0.613  1.0
  F  F14  1  0.838  0.387  0.387  1.0
  F  F15  1  0.000  0.000  0.372  1.0
  F  F16  1  0.387  0.387  0.838  1.0
  F  F17  1  0.387  0.387  0.387  1.0
  F  F18  1  0.613  0.613  0.162  1.0
  F  F19  1  1.000  0.372  0.628  1.0
  F  F20  1  0.628  0.000  0.000  1.0
  F  F21  1  0.628  0.000  0.372  1.0
  F  F22  1  0.372  1.000  0.628  1.0
  F  F23  1  1.000  0.372  0.000  1.0
  F  F24  1  0.613  0.162  0.613  1.0
  F  F25  1  0.628  0.372  1.000  1.0
  F  F26  1  0.162  0.613  0.613  1.0
  F  F27  1  0.000  0.000  0.627  1.0
[/CIF]
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