The material described by NaYF4 crystallizes in the monoclinic Pc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(12), one F(3), one F(6), and one F(7) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one F(11), one F(2), one F(4), one F(5), one F(8), and one F(9) atom. In the third Na site, Na(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(11), one F(12), one F(4), one F(5), one F(6), one F(8), and one F(9) atom. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one F(10), one F(11), one F(12), one F(2), one F(3), one F(5), one F(6), one F(7), and one F(9) atom. In the third Y site, Y(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(2), one F(3), one F(4), one F(6), one F(7), and one F(8) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), one Na(3), one Y(1), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(10)Na2Y2 tetrahedra,  a cornercorner with one F(12)Na2Y2 tetrahedra,  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(6)Na2Y2 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(2)NaY3 tetrahedra, corners with three equivalent F(8)Na2Y2 tetrahedra, corners with three equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(7)NaY3 tetrahedra, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the second F site, F(2) is bonded to one Na(2), one Y(1), one Y(2), and one Y(3) atom to form FNaY3 tetrahedra that share  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(9)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra, corners with two equivalent F(1)Na2Y2 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with three equivalent F(4)Na2Y2 tetrahedra, corners with three equivalent F(7)NaY3 tetrahedra,  a cornercorner with one F(11)Na2Y2 trigonal pyramid,  a cornercorner with one F(5)Na2Y2 trigonal pyramid,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the third F site, F(3) is bonded to one Na(1), one Y(1), one Y(2), and one Y(3) atom to form FNaY3 tetrahedra that share  a cornercorner with one F(10)Na2Y2 tetrahedra,  a cornercorner with one F(12)Na2Y2 tetrahedra,  a cornercorner with one F(6)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(4)Na2Y2 tetrahedra, corners with three equivalent F(1)Na2Y2 tetrahedra, corners with four equivalent F(7)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra, and  an edgeedge with one F(2)NaY3 tetrahedra. In the fourth F site, F(4) is bonded to one Na(2), one Na(3), one Y(1), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(9)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(3)NaY3 tetrahedra, corners with three equivalent F(2)NaY3 tetrahedra, corners with four equivalent F(8)Na2Y2 tetrahedra,  a cornercorner with one F(11)Na2Y2 trigonal pyramid,  a cornercorner with one F(5)Na2Y2 trigonal pyramid,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(7)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the fifth F site, F(5) is bonded to one Na(2), one Na(3), one Y(1), and one Y(2) atom to form distorted FNa2Y2 trigonal pyramids that share  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(7)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra, and  an edgeedge with one F(11)Na2Y2 trigonal pyramid. In the sixth F site, F(6) is bonded to one Na(1), one Na(3), one Y(2), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(4)Na2Y2 tetrahedra, corners with two equivalent F(8)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra, and  an edgeedge with one F(7)NaY3 tetrahedra. In the seventh F site, F(7) is bonded to one Na(1), one Y(1), one Y(2), and one Y(3) atom to form FNaY3 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(10)Na2Y2 tetrahedra,  a cornercorner with one F(12)Na2Y2 tetrahedra,  a cornercorner with one F(6)Na2Y2 tetrahedra, corners with two equivalent F(8)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with three equivalent F(2)NaY3 tetrahedra, corners with four equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra, and  an edgeedge with one F(11)Na2Y2 trigonal pyramid. In the eighth F site, F(8) is bonded to one Na(2), one Na(3), one Y(1), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(9)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(7)NaY3 tetrahedra, corners with three equivalent F(1)Na2Y2 tetrahedra, corners with four equivalent F(4)Na2Y2 tetrahedra,  a cornercorner with one F(11)Na2Y2 trigonal pyramid,  a cornercorner with one F(5)Na2Y2 trigonal pyramid,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the ninth F site, F(9) is bonded to one Na(2), one Na(3), one Y(1), and one Y(2) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(1)Na2Y2 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(7)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the tenth F site, F(10) is bonded to one Na(1), one Na(3), one Y(2), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(8)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(2)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra, and  an edgeedge with one F(7)NaY3 tetrahedra. In the eleventh F site, F(11) is bonded to one Na(2), one Na(3), one Y(1), and one Y(2) atom to form distorted FNa2Y2 trigonal pyramids that share  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(1)Na2Y2 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(7)NaY3 tetrahedra, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Na(1), one Na(3), one Y(2), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(4)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(2)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra, and  an edgeedge with one F(7)NaY3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.042
_cell_length_b   5.946
_cell_length_c   11.870
_cell_angle_alpha   59.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.897
_cell_formula_units_Z   6
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  0.662  0.651  0.842  1.0
  Na  Na1  1  0.160  0.684  0.825  1.0
  Na  Na2  1  0.840  0.684  0.325  1.0
  Na  Na3  1  0.254  0.334  0.667  1.0
  Na  Na4  1  0.338  0.651  0.342  1.0
  Na  Na5  1  0.746  0.334  0.167  1.0
  Y  Y6  1  0.003  0.002  0.499  1.0
  Y  Y7  1  0.752  0.334  0.665  1.0
  Y  Y8  1  0.997  0.002  0.999  1.0
  Y  Y9  1  0.500  0.998  0.001  1.0
  Y  Y10  1  0.500  0.998  0.501  1.0
  Y  Y11  1  0.248  0.334  0.165  1.0
  F  F12  1  0.747  0.253  0.995  1.0
  F  F13  1  0.249  0.276  0.985  1.0
  F  F14  1  0.750  0.752  0.635  1.0
  F  F15  1  0.250  0.758  0.631  1.0
  F  F16  1  0.982  0.046  0.680  1.0
  F  F17  1  0.524  0.044  0.681  1.0
  F  F18  1  0.751  0.276  0.485  1.0
  F  F19  1  0.253  0.253  0.495  1.0
  F  F20  1  0.751  0.970  0.878  1.0
  F  F21  1  0.248  0.989  0.879  1.0
  F  F22  1  0.750  0.758  0.131  1.0
  F  F23  1  0.250  0.752  0.135  1.0
  F  F24  1  0.982  0.594  0.522  1.0
  F  F25  1  0.517  0.593  0.522  1.0
  F  F26  1  0.979  0.364  0.797  1.0
  F  F27  1  0.523  0.358  0.796  1.0
  F  F28  1  0.476  0.044  0.181  1.0
  F  F29  1  0.018  0.046  0.180  1.0
  F  F30  1  0.752  0.989  0.379  1.0
  F  F31  1  0.249  0.970  0.378  1.0
  F  F32  1  0.018  0.594  0.022  1.0
  F  F33  1  0.483  0.593  0.022  1.0
  F  F34  1  0.021  0.364  0.297  1.0
  F  F35  1  0.477  0.358  0.296  1.0
[/CIF]
.
The material described by NaYF4 crystallizes in the monoclinic Pc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(12), one F(3), one F(6), and one F(7) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one F(11), one F(2), one F(4), one F(5), one F(8), and one F(9) atom. In the third Na site, Na(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(11), one F(12), one F(4), one F(5), one F(6), one F(8), and one F(9) atom. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one F(10), one F(11), one F(12), one F(2), one F(3), one F(5), one F(6), one F(7), and one F(9) atom. In the third Y site, Y(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(2), one F(3), one F(4), one F(6), one F(7), and one F(8) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), one Na(3), one Y(1), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(10)Na2Y2 tetrahedra,  a cornercorner with one F(12)Na2Y2 tetrahedra,  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(6)Na2Y2 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(2)NaY3 tetrahedra, corners with three equivalent F(8)Na2Y2 tetrahedra, corners with three equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(7)NaY3 tetrahedra, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the second F site, F(2) is bonded to one Na(2), one Y(1), one Y(2), and one Y(3) atom to form FNaY3 tetrahedra that share  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(9)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra, corners with two equivalent F(1)Na2Y2 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with three equivalent F(4)Na2Y2 tetrahedra, corners with three equivalent F(7)NaY3 tetrahedra,  a cornercorner with one F(11)Na2Y2 trigonal pyramid,  a cornercorner with one F(5)Na2Y2 trigonal pyramid,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the third F site, F(3) is bonded to one Na(1), one Y(1), one Y(2), and one Y(3) atom to form FNaY3 tetrahedra that share  a cornercorner with one F(10)Na2Y2 tetrahedra,  a cornercorner with one F(12)Na2Y2 tetrahedra,  a cornercorner with one F(6)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(4)Na2Y2 tetrahedra, corners with three equivalent F(1)Na2Y2 tetrahedra, corners with four equivalent F(7)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra, and  an edgeedge with one F(2)NaY3 tetrahedra. In the fourth F site, F(4) is bonded to one Na(2), one Na(3), one Y(1), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(9)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(3)NaY3 tetrahedra, corners with three equivalent F(2)NaY3 tetrahedra, corners with four equivalent F(8)Na2Y2 tetrahedra,  a cornercorner with one F(11)Na2Y2 trigonal pyramid,  a cornercorner with one F(5)Na2Y2 trigonal pyramid,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(7)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the fifth F site, F(5) is bonded to one Na(2), one Na(3), one Y(1), and one Y(2) atom to form distorted FNa2Y2 trigonal pyramids that share  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(7)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra, and  an edgeedge with one F(11)Na2Y2 trigonal pyramid. In the sixth F site, F(6) is bonded to one Na(1), one Na(3), one Y(2), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(4)Na2Y2 tetrahedra, corners with two equivalent F(8)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra, and  an edgeedge with one F(7)NaY3 tetrahedra. In the seventh F site, F(7) is bonded to one Na(1), one Y(1), one Y(2), and one Y(3) atom to form FNaY3 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(10)Na2Y2 tetrahedra,  a cornercorner with one F(12)Na2Y2 tetrahedra,  a cornercorner with one F(6)Na2Y2 tetrahedra, corners with two equivalent F(8)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with three equivalent F(2)NaY3 tetrahedra, corners with four equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra, and  an edgeedge with one F(11)Na2Y2 trigonal pyramid. In the eighth F site, F(8) is bonded to one Na(2), one Na(3), one Y(1), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(9)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(7)NaY3 tetrahedra, corners with three equivalent F(1)Na2Y2 tetrahedra, corners with four equivalent F(4)Na2Y2 tetrahedra,  a cornercorner with one F(11)Na2Y2 trigonal pyramid,  a cornercorner with one F(5)Na2Y2 trigonal pyramid,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the ninth F site, F(9) is bonded to one Na(2), one Na(3), one Y(1), and one Y(2) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(1)Na2Y2 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(7)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra,  an edgeedge with one F(11)Na2Y2 trigonal pyramid, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the tenth F site, F(10) is bonded to one Na(1), one Na(3), one Y(2), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(8)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(2)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(12)Na2Y2 tetrahedra,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra, and  an edgeedge with one F(7)NaY3 tetrahedra. In the eleventh F site, F(11) is bonded to one Na(2), one Na(3), one Y(1), and one Y(2) atom to form distorted FNa2Y2 trigonal pyramids that share  a cornercorner with one F(4)Na2Y2 tetrahedra,  a cornercorner with one F(8)Na2Y2 tetrahedra,  a cornercorner with one F(2)NaY3 tetrahedra, corners with two equivalent F(1)Na2Y2 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(12)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(3)NaY3 tetrahedra, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(4)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(9)Na2Y2 tetrahedra,  an edgeedge with one F(2)NaY3 tetrahedra,  an edgeedge with one F(7)NaY3 tetrahedra, and  an edgeedge with one F(5)Na2Y2 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Na(1), one Na(3), one Y(2), and one Y(3) atom to form FNa2Y2 tetrahedra that share  a cornercorner with one F(1)Na2Y2 tetrahedra,  a cornercorner with one F(3)NaY3 tetrahedra,  a cornercorner with one F(7)NaY3 tetrahedra, corners with two equivalent F(10)Na2Y2 tetrahedra, corners with two equivalent F(4)Na2Y2 tetrahedra, corners with two equivalent F(6)Na2Y2 tetrahedra, corners with two equivalent F(9)Na2Y2 tetrahedra, corners with two equivalent F(2)NaY3 tetrahedra, corners with two equivalent F(11)Na2Y2 trigonal pyramids, corners with two equivalent F(5)Na2Y2 trigonal pyramids,  an edgeedge with one F(1)Na2Y2 tetrahedra,  an edgeedge with one F(10)Na2Y2 tetrahedra,  an edgeedge with one F(6)Na2Y2 tetrahedra,  an edgeedge with one F(8)Na2Y2 tetrahedra,  an edgeedge with one F(3)NaY3 tetrahedra, and  an edgeedge with one F(7)NaY3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.042
_cell_length_b   5.946
_cell_length_c   11.870
_cell_angle_alpha   59.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.897
_cell_formula_units_Z   6
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  0.662  0.651  0.842  1.0
  Na  Na1  1  0.160  0.684  0.825  1.0
  Na  Na2  1  0.840  0.684  0.325  1.0
  Na  Na3  1  0.254  0.334  0.667  1.0
  Na  Na4  1  0.338  0.651  0.342  1.0
  Na  Na5  1  0.746  0.334  0.167  1.0
  Y  Y6  1  0.003  0.002  0.499  1.0
  Y  Y7  1  0.752  0.334  0.665  1.0
  Y  Y8  1  0.997  0.002  0.999  1.0
  Y  Y9  1  0.500  0.998  0.001  1.0
  Y  Y10  1  0.500  0.998  0.501  1.0
  Y  Y11  1  0.248  0.334  0.165  1.0
  F  F12  1  0.747  0.253  0.995  1.0
  F  F13  1  0.249  0.276  0.985  1.0
  F  F14  1  0.750  0.752  0.635  1.0
  F  F15  1  0.250  0.758  0.631  1.0
  F  F16  1  0.982  0.046  0.680  1.0
  F  F17  1  0.524  0.044  0.681  1.0
  F  F18  1  0.751  0.276  0.485  1.0
  F  F19  1  0.253  0.253  0.495  1.0
  F  F20  1  0.751  0.970  0.878  1.0
  F  F21  1  0.248  0.989  0.879  1.0
  F  F22  1  0.750  0.758  0.131  1.0
  F  F23  1  0.250  0.752  0.135  1.0
  F  F24  1  0.982  0.594  0.522  1.0
  F  F25  1  0.517  0.593  0.522  1.0
  F  F26  1  0.979  0.364  0.797  1.0
  F  F27  1  0.523  0.358  0.796  1.0
  F  F28  1  0.476  0.044  0.181  1.0
  F  F29  1  0.018  0.046  0.180  1.0
  F  F30  1  0.752  0.989  0.379  1.0
  F  F31  1  0.249  0.970  0.378  1.0
  F  F32  1  0.018  0.594  0.022  1.0
  F  F33  1  0.483  0.593  0.022  1.0
  F  F34  1  0.021  0.364  0.297  1.0
  F  F35  1  0.477  0.358  0.296  1.0
[/CIF]
.