The material structure described by Na5Y4(SiO4)4F crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted q6 geometry to four equivalent O(2), four equivalent O(3), and two equivalent F(1) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Y(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Y(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Y(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Y(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Y(1) atoms to form corner-sharing FNa2Y4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Y4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.707
_cell_length_b   8.707
_cell_length_c   8.707
_cell_angle_alpha   95.635
_cell_angle_beta   95.635
_cell_angle_gamma   143.479
_symmetry_Int_Tables_number   1
_cell_volume   373.088
_cell_formula_units_Z   1
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  0.901  0.595  0.515  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.405  0.920  0.306  1.0
  Na  Na3  1  0.614  0.099  0.694  1.0
  Na  Na4  1  0.080  0.386  0.485  1.0
  Y  Y5  1  0.860  0.159  0.067  1.0
  Y  Y6  1  0.206  0.140  0.298  1.0
  Y  Y7  1  0.841  0.908  0.702  1.0
  Y  Y8  1  0.092  0.794  0.933  1.0
  Si  Si9  1  0.593  0.736  0.351  1.0
  Si  Si10  1  0.758  0.407  0.144  1.0
  Si  Si11  1  0.264  0.614  0.856  1.0
  Si  Si12  1  0.386  0.242  0.649  1.0
  O  O13  1  0.871  0.374  0.278  1.0
  O  O14  1  0.551  0.791  0.827  1.0
  O  O15  1  0.079  0.315  0.862  1.0
  O  O16  1  0.770  0.331  0.968  1.0
  O  O17  1  0.276  0.449  0.240  1.0
  O  O18  1  0.407  0.129  0.503  1.0
  O  O19  1  0.685  0.547  0.765  1.0
  O  O20  1  0.783  0.921  0.235  1.0
  O  O21  1  0.626  0.904  0.497  1.0
  O  O22  1  0.096  0.593  0.722  1.0
  O  O23  1  0.964  0.724  0.173  1.0
  O  O24  1  0.453  0.217  0.138  1.0
  O  O25  1  0.209  0.036  0.760  1.0
  O  O26  1  0.362  0.802  0.032  1.0
  O  O27  1  0.198  0.230  0.561  1.0
  O  O28  1  0.669  0.638  0.439  1.0
  F  F29  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Na5Y4(SiO4)4F crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted q6 geometry to four equivalent O(2), four equivalent O(3), and two equivalent F(1) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Y(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Y(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Y(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Y(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Y(1) atoms to form corner-sharing FNa2Y4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Y4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.707
_cell_length_b   8.707
_cell_length_c   8.707
_cell_angle_alpha   95.635
_cell_angle_beta   95.635
_cell_angle_gamma   143.479
_symmetry_Int_Tables_number   1
_cell_volume   373.088
_cell_formula_units_Z   1
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  0.901  0.595  0.515  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.405  0.920  0.306  1.0
  Na  Na3  1  0.614  0.099  0.694  1.0
  Na  Na4  1  0.080  0.386  0.485  1.0
  Y  Y5  1  0.860  0.159  0.067  1.0
  Y  Y6  1  0.206  0.140  0.298  1.0
  Y  Y7  1  0.841  0.908  0.702  1.0
  Y  Y8  1  0.092  0.794  0.933  1.0
  Si  Si9  1  0.593  0.736  0.351  1.0
  Si  Si10  1  0.758  0.407  0.144  1.0
  Si  Si11  1  0.264  0.614  0.856  1.0
  Si  Si12  1  0.386  0.242  0.649  1.0
  O  O13  1  0.871  0.374  0.278  1.0
  O  O14  1  0.551  0.791  0.827  1.0
  O  O15  1  0.079  0.315  0.862  1.0
  O  O16  1  0.770  0.331  0.968  1.0
  O  O17  1  0.276  0.449  0.240  1.0
  O  O18  1  0.407  0.129  0.503  1.0
  O  O19  1  0.685  0.547  0.765  1.0
  O  O20  1  0.783  0.921  0.235  1.0
  O  O21  1  0.626  0.904  0.497  1.0
  O  O22  1  0.096  0.593  0.722  1.0
  O  O23  1  0.964  0.724  0.173  1.0
  O  O24  1  0.453  0.217  0.138  1.0
  O  O25  1  0.209  0.036  0.760  1.0
  O  O26  1  0.362  0.802  0.032  1.0
  O  O27  1  0.198  0.230  0.561  1.0
  O  O28  1  0.669  0.638  0.439  1.0
  F  F29  1  0.000  0.000  0.000  1.0
[/CIF]
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