The compound described by Na5Dy4Si4O16F 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. Dy(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(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Dy(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Dy(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Dy(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Dy(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Dy(1) atoms to form corner-sharing FNa2Dy4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5Dy4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.696
_cell_length_b   8.696
_cell_length_c   8.696
_cell_angle_alpha   95.607
_cell_angle_beta   95.607
_cell_angle_gamma   143.571
_symmetry_Int_Tables_number   1
_cell_volume   370.981
_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  0.598  0.904  0.515  1.0
  Na  Na1  1  0.388  0.082  0.485  1.0
  Na  Na2  1  0.096  0.612  0.694  1.0
  Na  Na3  1  0.918  0.402  0.306  1.0
  Na  Na4  1  0.500  0.500  0.000  1.0
  Dy  Dy5  1  0.160  0.862  0.067  1.0
  Dy  Dy6  1  0.795  0.093  0.933  1.0
  Dy  Dy7  1  0.138  0.205  0.298  1.0
  Dy  Dy8  1  0.907  0.840  0.702  1.0
  Si  Si9  1  0.407  0.758  0.143  1.0
  Si  Si10  1  0.614  0.264  0.857  1.0
  Si  Si11  1  0.242  0.386  0.650  1.0
  Si  Si12  1  0.736  0.593  0.350  1.0
  O  O13  1  0.378  0.874  0.278  1.0
  O  O14  1  0.596  0.100  0.722  1.0
  O  O15  1  0.126  0.404  0.504  1.0
  O  O16  1  0.900  0.622  0.496  1.0
  O  O17  1  0.216  0.452  0.139  1.0
  O  O18  1  0.313  0.077  0.861  1.0
  O  O19  1  0.548  0.687  0.764  1.0
  O  O20  1  0.923  0.784  0.236  1.0
  O  O21  1  0.724  0.964  0.172  1.0
  O  O22  1  0.792  0.553  0.828  1.0
  O  O23  1  0.036  0.208  0.760  1.0
  O  O24  1  0.447  0.276  0.240  1.0
  O  O25  1  0.329  0.768  0.967  1.0
  O  O26  1  0.800  0.362  0.033  1.0
  O  O27  1  0.232  0.200  0.561  1.0
  O  O28  1  0.638  0.671  0.439  1.0
  F  F29  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na5Dy4Si4O16F 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. Dy(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(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Dy(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Dy(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Dy(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Dy(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Dy(1) atoms to form corner-sharing FNa2Dy4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5Dy4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.696
_cell_length_b   8.696
_cell_length_c   8.696
_cell_angle_alpha   95.607
_cell_angle_beta   95.607
_cell_angle_gamma   143.571
_symmetry_Int_Tables_number   1
_cell_volume   370.981
_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  0.598  0.904  0.515  1.0
  Na  Na1  1  0.388  0.082  0.485  1.0
  Na  Na2  1  0.096  0.612  0.694  1.0
  Na  Na3  1  0.918  0.402  0.306  1.0
  Na  Na4  1  0.500  0.500  0.000  1.0
  Dy  Dy5  1  0.160  0.862  0.067  1.0
  Dy  Dy6  1  0.795  0.093  0.933  1.0
  Dy  Dy7  1  0.138  0.205  0.298  1.0
  Dy  Dy8  1  0.907  0.840  0.702  1.0
  Si  Si9  1  0.407  0.758  0.143  1.0
  Si  Si10  1  0.614  0.264  0.857  1.0
  Si  Si11  1  0.242  0.386  0.650  1.0
  Si  Si12  1  0.736  0.593  0.350  1.0
  O  O13  1  0.378  0.874  0.278  1.0
  O  O14  1  0.596  0.100  0.722  1.0
  O  O15  1  0.126  0.404  0.504  1.0
  O  O16  1  0.900  0.622  0.496  1.0
  O  O17  1  0.216  0.452  0.139  1.0
  O  O18  1  0.313  0.077  0.861  1.0
  O  O19  1  0.548  0.687  0.764  1.0
  O  O20  1  0.923  0.784  0.236  1.0
  O  O21  1  0.724  0.964  0.172  1.0
  O  O22  1  0.792  0.553  0.828  1.0
  O  O23  1  0.036  0.208  0.760  1.0
  O  O24  1  0.447  0.276  0.240  1.0
  O  O25  1  0.329  0.768  0.967  1.0
  O  O26  1  0.800  0.362  0.033  1.0
  O  O27  1  0.232  0.200  0.561  1.0
  O  O28  1  0.638  0.671  0.439  1.0
  F  F29  1  0.000  0.000  0.000  1.0
[/CIF]
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