The crystal structure described by NaY3F10 crystallizes in the tetragonal P4_2/mmc space group. Na(1) is bonded to two equivalent F(1), two equivalent F(3), and eight equivalent F(2) atoms to form corner-sharing NaF12 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and eight equivalent F(2) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one F(1), two equivalent F(3), and eight equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1), two equivalent Y(1), and two equivalent Y(2) atoms to form distorted FNa2Y4 octahedra that share corners with four equivalent F(1)Na2Y4 octahedra, corners with twenty-four equivalent F(2)NaY3 tetrahedra, edges with four equivalent F(3)Na2Y4 octahedra, and faces with eight equivalent F(2)NaY3 tetrahedra. The corner-sharing octahedra are not tilted. In the second F site, F(2) is bonded to one Na(1), one Y(1), and two equivalent Y(2) atoms to form FNaY3 tetrahedra that share corners with three equivalent F(1)Na2Y4 octahedra, corners with three equivalent F(3)Na2Y4 octahedra, corners with sixteen equivalent F(2)NaY3 tetrahedra, edges with six equivalent F(2)NaY3 tetrahedra,  a faceface with one F(1)Na2Y4 octahedra, and  a faceface with one F(3)Na2Y4 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the third F site, F(3) is bonded to two equivalent Na(1) and four equivalent Y(2) atoms to form FNa2Y4 octahedra that share corners with six equivalent F(3)Na2Y4 octahedra, corners with twenty-four equivalent F(2)NaY3 tetrahedra, edges with four equivalent F(1)Na2Y4 octahedra, and faces with eight equivalent F(2)NaY3 tetrahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_NaY3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.655
_cell_length_c   10.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.062
_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  0.500  0.500  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.000  0.500  0.775  1.0
  Y  Y4  1  0.000  0.000  0.500  1.0
  Y  Y5  1  0.000  0.500  0.225  1.0
  Y  Y6  1  0.500  0.000  0.725  1.0
  Y  Y7  1  0.500  0.000  0.275  1.0
  F  F8  1  0.000  0.500  0.000  1.0
  F  F9  1  0.239  0.212  0.868  1.0
  F  F10  1  0.212  0.239  0.368  1.0
  F  F11  1  0.239  0.212  0.132  1.0
  F  F12  1  0.239  0.788  0.868  1.0
  F  F13  1  0.212  0.239  0.632  1.0
  F  F14  1  0.212  0.761  0.368  1.0
  F  F15  1  0.239  0.788  0.132  1.0
  F  F16  1  0.212  0.761  0.632  1.0
  F  F17  1  0.500  0.500  0.750  1.0
  F  F18  1  0.500  0.000  0.500  1.0
  F  F19  1  0.500  0.500  0.250  1.0
  F  F20  1  0.788  0.239  0.368  1.0
  F  F21  1  0.761  0.212  0.868  1.0
  F  F22  1  0.761  0.212  0.132  1.0
  F  F23  1  0.761  0.788  0.868  1.0
  F  F24  1  0.761  0.788  0.132  1.0
  F  F25  1  0.788  0.761  0.368  1.0
  F  F26  1  0.788  0.239  0.632  1.0
  F  F27  1  0.788  0.761  0.632  1.0
[/CIF]
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The crystal structure described by NaY3F10 crystallizes in the tetragonal P4_2/mmc space group. Na(1) is bonded to two equivalent F(1), two equivalent F(3), and eight equivalent F(2) atoms to form corner-sharing NaF12 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and eight equivalent F(2) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one F(1), two equivalent F(3), and eight equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1), two equivalent Y(1), and two equivalent Y(2) atoms to form distorted FNa2Y4 octahedra that share corners with four equivalent F(1)Na2Y4 octahedra, corners with twenty-four equivalent F(2)NaY3 tetrahedra, edges with four equivalent F(3)Na2Y4 octahedra, and faces with eight equivalent F(2)NaY3 tetrahedra. The corner-sharing octahedra are not tilted. In the second F site, F(2) is bonded to one Na(1), one Y(1), and two equivalent Y(2) atoms to form FNaY3 tetrahedra that share corners with three equivalent F(1)Na2Y4 octahedra, corners with three equivalent F(3)Na2Y4 octahedra, corners with sixteen equivalent F(2)NaY3 tetrahedra, edges with six equivalent F(2)NaY3 tetrahedra,  a faceface with one F(1)Na2Y4 octahedra, and  a faceface with one F(3)Na2Y4 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the third F site, F(3) is bonded to two equivalent Na(1) and four equivalent Y(2) atoms to form FNa2Y4 octahedra that share corners with six equivalent F(3)Na2Y4 octahedra, corners with twenty-four equivalent F(2)NaY3 tetrahedra, edges with four equivalent F(1)Na2Y4 octahedra, and faces with eight equivalent F(2)NaY3 tetrahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_NaY3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.655
_cell_length_c   10.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.062
_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  0.500  0.500  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.000  0.500  0.775  1.0
  Y  Y4  1  0.000  0.000  0.500  1.0
  Y  Y5  1  0.000  0.500  0.225  1.0
  Y  Y6  1  0.500  0.000  0.725  1.0
  Y  Y7  1  0.500  0.000  0.275  1.0
  F  F8  1  0.000  0.500  0.000  1.0
  F  F9  1  0.239  0.212  0.868  1.0
  F  F10  1  0.212  0.239  0.368  1.0
  F  F11  1  0.239  0.212  0.132  1.0
  F  F12  1  0.239  0.788  0.868  1.0
  F  F13  1  0.212  0.239  0.632  1.0
  F  F14  1  0.212  0.761  0.368  1.0
  F  F15  1  0.239  0.788  0.132  1.0
  F  F16  1  0.212  0.761  0.632  1.0
  F  F17  1  0.500  0.500  0.750  1.0
  F  F18  1  0.500  0.000  0.500  1.0
  F  F19  1  0.500  0.500  0.250  1.0
  F  F20  1  0.788  0.239  0.368  1.0
  F  F21  1  0.761  0.212  0.868  1.0
  F  F22  1  0.761  0.212  0.132  1.0
  F  F23  1  0.761  0.788  0.868  1.0
  F  F24  1  0.761  0.788  0.132  1.0
  F  F25  1  0.788  0.761  0.368  1.0
  F  F26  1  0.788  0.239  0.632  1.0
  F  F27  1  0.788  0.761  0.632  1.0
[/CIF]
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