The compound described by NaLiYb2F8 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(3), and four equivalent F(2) atoms. Li(1) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form distorted corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 45°. Yb(1) is bonded in a 8-coordinate geometry to one F(1), one F(4), two equivalent F(3), and four equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded to one Na(1), one Li(1), and two equivalent Yb(1) atoms to form distorted FNaLiYb2 trigonal pyramids that share corners with two equivalent F(4)Li2Yb2 tetrahedra, corners with six equivalent F(2)NaLiYb2 trigonal pyramids,  an edgeedge with one F(4)Li2Yb2 tetrahedra, and edges with three equivalent F(2)NaLiYb2 trigonal pyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Yb(1) atoms. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Yb(1) atoms to form distorted FLi2Yb2 tetrahedra that share corners with two equivalent F(4)Li2Yb2 tetrahedra, corners with eight equivalent F(2)NaLiYb2 trigonal pyramids, and edges with four equivalent F(2)NaLiYb2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiYb2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   6.570
_cell_length_c   7.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.119
_symmetry_Int_Tables_number   1
_cell_volume   311.482
_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
  Na  Na0  1  0.331  0.331  0.750  1.0
  Na  Na1  1  0.669  0.669  0.250  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Yb  Yb4  1  0.066  0.440  0.250  1.0
  Yb  Yb5  1  0.934  0.560  0.750  1.0
  Yb  Yb6  1  0.440  0.066  0.250  1.0
  Yb  Yb7  1  0.560  0.934  0.750  1.0
  F  F8  1  0.416  0.416  0.250  1.0
  F  F9  1  0.584  0.584  0.750  1.0
  F  F10  1  0.065  0.339  0.547  1.0
  F  F11  1  0.935  0.661  0.453  1.0
  F  F12  1  0.306  0.725  0.250  1.0
  F  F13  1  0.275  0.694  0.750  1.0
  F  F14  1  0.339  0.065  0.953  1.0
  F  F15  1  0.661  0.935  0.453  1.0
  F  F16  1  0.694  0.275  0.750  1.0
  F  F17  1  0.661  0.935  0.047  1.0
  F  F18  1  0.065  0.339  0.953  1.0
  F  F19  1  0.912  0.912  0.750  1.0
  F  F20  1  0.935  0.661  0.047  1.0
  F  F21  1  0.725  0.306  0.250  1.0
  F  F22  1  0.339  0.065  0.547  1.0
  F  F23  1  0.088  0.088  0.250  1.0
[/CIF]
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The compound described by NaLiYb2F8 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(3), and four equivalent F(2) atoms. Li(1) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form distorted corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 45°. Yb(1) is bonded in a 8-coordinate geometry to one F(1), one F(4), two equivalent F(3), and four equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded to one Na(1), one Li(1), and two equivalent Yb(1) atoms to form distorted FNaLiYb2 trigonal pyramids that share corners with two equivalent F(4)Li2Yb2 tetrahedra, corners with six equivalent F(2)NaLiYb2 trigonal pyramids,  an edgeedge with one F(4)Li2Yb2 tetrahedra, and edges with three equivalent F(2)NaLiYb2 trigonal pyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Yb(1) atoms. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Yb(1) atoms to form distorted FLi2Yb2 tetrahedra that share corners with two equivalent F(4)Li2Yb2 tetrahedra, corners with eight equivalent F(2)NaLiYb2 trigonal pyramids, and edges with four equivalent F(2)NaLiYb2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiYb2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   6.570
_cell_length_c   7.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.119
_symmetry_Int_Tables_number   1
_cell_volume   311.482
_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
  Na  Na0  1  0.331  0.331  0.750  1.0
  Na  Na1  1  0.669  0.669  0.250  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Yb  Yb4  1  0.066  0.440  0.250  1.0
  Yb  Yb5  1  0.934  0.560  0.750  1.0
  Yb  Yb6  1  0.440  0.066  0.250  1.0
  Yb  Yb7  1  0.560  0.934  0.750  1.0
  F  F8  1  0.416  0.416  0.250  1.0
  F  F9  1  0.584  0.584  0.750  1.0
  F  F10  1  0.065  0.339  0.547  1.0
  F  F11  1  0.935  0.661  0.453  1.0
  F  F12  1  0.306  0.725  0.250  1.0
  F  F13  1  0.275  0.694  0.750  1.0
  F  F14  1  0.339  0.065  0.953  1.0
  F  F15  1  0.661  0.935  0.453  1.0
  F  F16  1  0.694  0.275  0.750  1.0
  F  F17  1  0.661  0.935  0.047  1.0
  F  F18  1  0.065  0.339  0.953  1.0
  F  F19  1  0.912  0.912  0.750  1.0
  F  F20  1  0.935  0.661  0.047  1.0
  F  F21  1  0.725  0.306  0.250  1.0
  F  F22  1  0.339  0.065  0.547  1.0
  F  F23  1  0.088  0.088  0.250  1.0
[/CIF]
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