The structure described by NaYbF4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to two Na(1,1) and two Yb(1,1) atoms to form a mixture of edge and corner-sharing FNa2Yb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYbF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.173
_cell_length_b   6.173
_cell_length_c   6.173
_cell_angle_alpha   126.269
_cell_angle_beta   126.269
_cell_angle_gamma   79.446
_symmetry_Int_Tables_number   1
_cell_volume   147.816
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.750  0.250  0.500  1.0
  F  F4  1  0.375  0.364  0.489  1.0
  F  F5  1  0.875  0.886  0.511  1.0
  F  F6  1  0.114  0.125  0.489  1.0
  F  F7  1  0.636  0.125  0.011  1.0
  F  F8  1  0.875  0.364  0.989  1.0
  F  F9  1  0.636  0.625  0.511  1.0
  F  F10  1  0.114  0.625  0.989  1.0
  F  F11  1  0.375  0.886  0.011  1.0
[/CIF]
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The structure described by NaYbF4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to two Na(1,1) and two Yb(1,1) atoms to form a mixture of edge and corner-sharing FNa2Yb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYbF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.173
_cell_length_b   6.173
_cell_length_c   6.173
_cell_angle_alpha   126.269
_cell_angle_beta   126.269
_cell_angle_gamma   79.446
_symmetry_Int_Tables_number   1
_cell_volume   147.816
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.750  0.250  0.500  1.0
  F  F4  1  0.375  0.364  0.489  1.0
  F  F5  1  0.875  0.886  0.511  1.0
  F  F6  1  0.114  0.125  0.489  1.0
  F  F7  1  0.636  0.125  0.011  1.0
  F  F8  1  0.875  0.364  0.989  1.0
  F  F9  1  0.636  0.625  0.511  1.0
  F  F10  1  0.114  0.625  0.989  1.0
  F  F11  1  0.375  0.886  0.011  1.0
[/CIF]
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