The compound described by Na5Sm4Si4O16F 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. Sm(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 Sm(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 Sm(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 Sm(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 Sm(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Sm(1) atoms to form corner-sharing FNa2Sm4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Sm4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.855
_cell_length_b   8.855
_cell_length_c   8.855
_cell_angle_alpha   95.514
_cell_angle_beta   95.514
_cell_angle_gamma   143.884
_symmetry_Int_Tables_number   1
_cell_volume   389.061
_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  0.581  0.097  0.694  1.0
  Na  Na1  1  0.402  0.887  0.306  1.0
  Na  Na2  1  0.113  0.419  0.515  1.0
  Na  Na3  1  0.903  0.598  0.485  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Sm  Sm5  1  0.597  0.664  0.300  1.0
  Sm  Sm6  1  0.363  0.296  0.700  1.0
  Sm  Sm7  1  0.704  0.403  0.067  1.0
  Sm  Sm8  1  0.336  0.637  0.933  1.0
  Si  Si9  1  0.762  0.907  0.650  1.0
  Si  Si10  1  0.257  0.112  0.350  1.0
  Si  Si11  1  0.888  0.238  0.145  1.0
  Si  Si12  1  0.093  0.743  0.855  1.0
  O  O13  1  0.600  0.878  0.507  1.0
  O  O14  1  0.370  0.092  0.493  1.0
  O  O15  1  0.908  0.400  0.278  1.0
  O  O16  1  0.122  0.630  0.722  1.0
  O  O17  1  0.578  0.719  0.763  1.0
  O  O18  1  0.956  0.814  0.237  1.0
  O  O19  1  0.186  0.422  0.142  1.0
  O  O20  1  0.281  0.044  0.858  1.0
  O  O21  1  0.048  0.221  0.757  1.0
  O  O22  1  0.464  0.291  0.243  1.0
  O  O23  1  0.709  0.952  0.173  1.0
  O  O24  1  0.779  0.536  0.827  1.0
  O  O25  1  0.852  0.821  0.565  1.0
  O  O26  1  0.256  0.287  0.435  1.0
  O  O27  1  0.713  0.148  0.969  1.0
  O  O28  1  0.179  0.744  0.031  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Na5Sm4Si4O16F 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. Sm(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 Sm(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 Sm(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 Sm(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 Sm(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Sm(1) atoms to form corner-sharing FNa2Sm4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Sm4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.855
_cell_length_b   8.855
_cell_length_c   8.855
_cell_angle_alpha   95.514
_cell_angle_beta   95.514
_cell_angle_gamma   143.884
_symmetry_Int_Tables_number   1
_cell_volume   389.061
_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  0.581  0.097  0.694  1.0
  Na  Na1  1  0.402  0.887  0.306  1.0
  Na  Na2  1  0.113  0.419  0.515  1.0
  Na  Na3  1  0.903  0.598  0.485  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Sm  Sm5  1  0.597  0.664  0.300  1.0
  Sm  Sm6  1  0.363  0.296  0.700  1.0
  Sm  Sm7  1  0.704  0.403  0.067  1.0
  Sm  Sm8  1  0.336  0.637  0.933  1.0
  Si  Si9  1  0.762  0.907  0.650  1.0
  Si  Si10  1  0.257  0.112  0.350  1.0
  Si  Si11  1  0.888  0.238  0.145  1.0
  Si  Si12  1  0.093  0.743  0.855  1.0
  O  O13  1  0.600  0.878  0.507  1.0
  O  O14  1  0.370  0.092  0.493  1.0
  O  O15  1  0.908  0.400  0.278  1.0
  O  O16  1  0.122  0.630  0.722  1.0
  O  O17  1  0.578  0.719  0.763  1.0
  O  O18  1  0.956  0.814  0.237  1.0
  O  O19  1  0.186  0.422  0.142  1.0
  O  O20  1  0.281  0.044  0.858  1.0
  O  O21  1  0.048  0.221  0.757  1.0
  O  O22  1  0.464  0.291  0.243  1.0
  O  O23  1  0.709  0.952  0.173  1.0
  O  O24  1  0.779  0.536  0.827  1.0
  O  O25  1  0.852  0.821  0.565  1.0
  O  O26  1  0.256  0.287  0.435  1.0
  O  O27  1  0.713  0.148  0.969  1.0
  O  O28  1  0.179  0.744  0.031  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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