The material structure described by Na5Ho4Si4O16F 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. Ho(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 Ho(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 Ho(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 Ho(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 Ho(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Ho(1) atoms to form corner-sharing FNa2Ho4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Ho4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.556
_cell_length_b   8.556
_cell_length_c   8.556
_cell_angle_alpha   95.674
_cell_angle_beta   95.674
_cell_angle_gamma   143.347
_symmetry_Int_Tables_number   1
_cell_volume   354.942
_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  0.401  0.885  0.306  1.0
  Na  Na1  1  0.579  0.096  0.694  1.0
  Na  Na2  1  0.904  0.599  0.483  1.0
  Na  Na3  1  0.115  0.421  0.517  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Ho  Ho5  1  0.361  0.295  0.703  1.0
  Ho  Ho6  1  0.592  0.658  0.297  1.0
  Ho  Ho7  1  0.342  0.639  0.933  1.0
  Ho  Ho8  1  0.705  0.408  0.067  1.0
  Si  Si9  1  0.258  0.115  0.351  1.0
  Si  Si10  1  0.764  0.907  0.649  1.0
  Si  Si11  1  0.093  0.742  0.857  1.0
  Si  Si12  1  0.885  0.236  0.143  1.0
  O  O13  1  0.372  0.093  0.498  1.0
  O  O14  1  0.595  0.874  0.502  1.0
  O  O15  1  0.126  0.628  0.722  1.0
  O  O16  1  0.907  0.405  0.278  1.0
  O  O17  1  0.952  0.815  0.234  1.0
  O  O18  1  0.581  0.718  0.766  1.0
  O  O19  1  0.282  0.048  0.863  1.0
  O  O20  1  0.185  0.419  0.137  1.0
  O  O21  1  0.465  0.292  0.239  1.0
  O  O22  1  0.053  0.225  0.761  1.0
  O  O23  1  0.775  0.535  0.827  1.0
  O  O24  1  0.708  0.947  0.173  1.0
  O  O25  1  0.271  0.304  0.441  1.0
  O  O26  1  0.864  0.830  0.559  1.0
  O  O27  1  0.170  0.729  0.034  1.0
  O  O28  1  0.696  0.136  0.966  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Na5Ho4Si4O16F 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. Ho(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 Ho(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 Ho(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 Ho(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 Ho(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Ho(1) atoms to form corner-sharing FNa2Ho4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Ho4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.556
_cell_length_b   8.556
_cell_length_c   8.556
_cell_angle_alpha   95.674
_cell_angle_beta   95.674
_cell_angle_gamma   143.347
_symmetry_Int_Tables_number   1
_cell_volume   354.942
_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  0.401  0.885  0.306  1.0
  Na  Na1  1  0.579  0.096  0.694  1.0
  Na  Na2  1  0.904  0.599  0.483  1.0
  Na  Na3  1  0.115  0.421  0.517  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Ho  Ho5  1  0.361  0.295  0.703  1.0
  Ho  Ho6  1  0.592  0.658  0.297  1.0
  Ho  Ho7  1  0.342  0.639  0.933  1.0
  Ho  Ho8  1  0.705  0.408  0.067  1.0
  Si  Si9  1  0.258  0.115  0.351  1.0
  Si  Si10  1  0.764  0.907  0.649  1.0
  Si  Si11  1  0.093  0.742  0.857  1.0
  Si  Si12  1  0.885  0.236  0.143  1.0
  O  O13  1  0.372  0.093  0.498  1.0
  O  O14  1  0.595  0.874  0.502  1.0
  O  O15  1  0.126  0.628  0.722  1.0
  O  O16  1  0.907  0.405  0.278  1.0
  O  O17  1  0.952  0.815  0.234  1.0
  O  O18  1  0.581  0.718  0.766  1.0
  O  O19  1  0.282  0.048  0.863  1.0
  O  O20  1  0.185  0.419  0.137  1.0
  O  O21  1  0.465  0.292  0.239  1.0
  O  O22  1  0.053  0.225  0.761  1.0
  O  O23  1  0.775  0.535  0.827  1.0
  O  O24  1  0.708  0.947  0.173  1.0
  O  O25  1  0.271  0.304  0.441  1.0
  O  O26  1  0.864  0.830  0.559  1.0
  O  O27  1  0.170  0.729  0.034  1.0
  O  O28  1  0.696  0.136  0.966  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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