The material described by Na5Tm4Si4O16F 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. Tm(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 Tm(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 Tm(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 Tm(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Tm(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Tm(1) atoms to form corner-sharing FNa2Tm4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5Tm4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.602
_cell_length_b   8.602
_cell_length_c   8.602
_cell_angle_alpha   95.657
_cell_angle_beta   95.657
_cell_angle_gamma   143.404
_symmetry_Int_Tables_number   1
_cell_volume   360.319
_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  0.584  0.099  0.694  1.0
  Na  Na1  1  0.405  0.889  0.306  1.0
  Na  Na2  1  0.111  0.416  0.516  1.0
  Na  Na3  1  0.901  0.595  0.484  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Tm  Tm5  1  0.592  0.659  0.297  1.0
  Tm  Tm6  1  0.362  0.295  0.703  1.0
  Tm  Tm7  1  0.705  0.408  0.067  1.0
  Tm  Tm8  1  0.341  0.638  0.933  1.0
  Si  Si9  1  0.765  0.907  0.650  1.0
  Si  Si10  1  0.257  0.115  0.350  1.0
  Si  Si11  1  0.885  0.235  0.142  1.0
  Si  Si12  1  0.093  0.743  0.858  1.0
  O  O13  1  0.600  0.877  0.501  1.0
  O  O14  1  0.376  0.098  0.499  1.0
  O  O15  1  0.902  0.400  0.278  1.0
  O  O16  1  0.123  0.624  0.722  1.0
  O  O17  1  0.576  0.714  0.765  1.0
  O  O18  1  0.949  0.811  0.235  1.0
  O  O19  1  0.189  0.424  0.138  1.0
  O  O20  1  0.286  0.051  0.862  1.0
  O  O21  1  0.056  0.226  0.763  1.0
  O  O22  1  0.463  0.292  0.237  1.0
  O  O23  1  0.708  0.944  0.171  1.0
  O  O24  1  0.774  0.537  0.829  1.0
  O  O25  1  0.865  0.831  0.559  1.0
  O  O26  1  0.272  0.306  0.441  1.0
  O  O27  1  0.694  0.135  0.966  1.0
  O  O28  1  0.169  0.728  0.034  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material described by Na5Tm4Si4O16F 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. Tm(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 Tm(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 Tm(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 Tm(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Tm(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Tm(1) atoms to form corner-sharing FNa2Tm4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5Tm4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.602
_cell_length_b   8.602
_cell_length_c   8.602
_cell_angle_alpha   95.657
_cell_angle_beta   95.657
_cell_angle_gamma   143.404
_symmetry_Int_Tables_number   1
_cell_volume   360.319
_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  0.584  0.099  0.694  1.0
  Na  Na1  1  0.405  0.889  0.306  1.0
  Na  Na2  1  0.111  0.416  0.516  1.0
  Na  Na3  1  0.901  0.595  0.484  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Tm  Tm5  1  0.592  0.659  0.297  1.0
  Tm  Tm6  1  0.362  0.295  0.703  1.0
  Tm  Tm7  1  0.705  0.408  0.067  1.0
  Tm  Tm8  1  0.341  0.638  0.933  1.0
  Si  Si9  1  0.765  0.907  0.650  1.0
  Si  Si10  1  0.257  0.115  0.350  1.0
  Si  Si11  1  0.885  0.235  0.142  1.0
  Si  Si12  1  0.093  0.743  0.858  1.0
  O  O13  1  0.600  0.877  0.501  1.0
  O  O14  1  0.376  0.098  0.499  1.0
  O  O15  1  0.902  0.400  0.278  1.0
  O  O16  1  0.123  0.624  0.722  1.0
  O  O17  1  0.576  0.714  0.765  1.0
  O  O18  1  0.949  0.811  0.235  1.0
  O  O19  1  0.189  0.424  0.138  1.0
  O  O20  1  0.286  0.051  0.862  1.0
  O  O21  1  0.056  0.226  0.763  1.0
  O  O22  1  0.463  0.292  0.237  1.0
  O  O23  1  0.708  0.944  0.171  1.0
  O  O24  1  0.774  0.537  0.829  1.0
  O  O25  1  0.865  0.831  0.559  1.0
  O  O26  1  0.272  0.306  0.441  1.0
  O  O27  1  0.694  0.135  0.966  1.0
  O  O28  1  0.169  0.728  0.034  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
.