The crystal structure described by Na5Nd4Ge4O16F 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 4-coordinate geometry to four equivalent O(1) and two equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(2) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and one F(1) atom. Ge(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 4-coordinate geometry to one Na(2), two equivalent Nd(1), and one Ge(1) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Nd(1), and one Ge(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Nd(1), and one Ge(1) atom. In the fourth O site, O(2) is bonded to three equivalent Na(2), one Nd(1), and one Ge(1) atom to form distorted ONa3NdGe square pyramids that share  a cornercorner with one F(1)Na2Nd4 octahedra and edges with three equivalent O(2)Na3NdGe square pyramids. The corner-sharing octahedral tilt angles are 34°. F(1) is bonded to two equivalent Na(1) and four equivalent Nd(1) atoms to form FNa2Nd4 octahedra that share corners with two equivalent F(1)Na2Nd4 octahedra and corners with four equivalent O(2)Na3NdGe square pyramids. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Nd4Ge4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.080
_cell_length_b   9.080
_cell_length_c   9.080
_cell_angle_alpha   95.734
_cell_angle_beta   95.734
_cell_angle_gamma   143.148
_symmetry_Int_Tables_number   1
_cell_volume   426.020
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.877  0.394  0.308  1.0
  Na  Na2  1  0.087  0.570  0.692  1.0
  Na  Na3  1  0.430  0.123  0.517  1.0
  Na  Na4  1  0.606  0.913  0.483  1.0
  Nd  Nd5  1  0.294  0.360  0.703  1.0
  Nd  Nd6  1  0.658  0.591  0.297  1.0
  Nd  Nd7  1  0.409  0.706  0.067  1.0
  Nd  Nd8  1  0.640  0.342  0.933  1.0
  Ge  Ge9  1  0.742  0.093  0.856  1.0
  Ge  Ge10  1  0.237  0.886  0.144  1.0
  Ge  Ge11  1  0.114  0.258  0.351  1.0
  Ge  Ge12  1  0.907  0.763  0.649  1.0
  O  O13  1  0.055  0.280  0.870  1.0
  O  O14  1  0.410  0.185  0.130  1.0
  O  O15  1  0.815  0.945  0.225  1.0
  O  O16  1  0.720  0.590  0.775  1.0
  O  O17  1  0.637  0.136  0.717  1.0
  O  O18  1  0.419  0.920  0.283  1.0
  O  O19  1  0.080  0.363  0.499  1.0
  O  O20  1  0.864  0.581  0.501  1.0
  O  O21  1  0.521  0.764  0.825  1.0
  O  O22  1  0.939  0.696  0.175  1.0
  O  O23  1  0.304  0.479  0.243  1.0
  O  O24  1  0.236  0.061  0.757  1.0
  O  O25  1  0.719  0.164  0.036  1.0
  O  O26  1  0.127  0.683  0.964  1.0
  O  O27  1  0.317  0.281  0.444  1.0
  O  O28  1  0.836  0.873  0.556  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Na5Nd4Ge4O16F 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 4-coordinate geometry to four equivalent O(1) and two equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(2) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and one F(1) atom. Ge(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 4-coordinate geometry to one Na(2), two equivalent Nd(1), and one Ge(1) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Nd(1), and one Ge(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Nd(1), and one Ge(1) atom. In the fourth O site, O(2) is bonded to three equivalent Na(2), one Nd(1), and one Ge(1) atom to form distorted ONa3NdGe square pyramids that share  a cornercorner with one F(1)Na2Nd4 octahedra and edges with three equivalent O(2)Na3NdGe square pyramids. The corner-sharing octahedral tilt angles are 34°. F(1) is bonded to two equivalent Na(1) and four equivalent Nd(1) atoms to form FNa2Nd4 octahedra that share corners with two equivalent F(1)Na2Nd4 octahedra and corners with four equivalent O(2)Na3NdGe square pyramids. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Nd4Ge4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.080
_cell_length_b   9.080
_cell_length_c   9.080
_cell_angle_alpha   95.734
_cell_angle_beta   95.734
_cell_angle_gamma   143.148
_symmetry_Int_Tables_number   1
_cell_volume   426.020
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.877  0.394  0.308  1.0
  Na  Na2  1  0.087  0.570  0.692  1.0
  Na  Na3  1  0.430  0.123  0.517  1.0
  Na  Na4  1  0.606  0.913  0.483  1.0
  Nd  Nd5  1  0.294  0.360  0.703  1.0
  Nd  Nd6  1  0.658  0.591  0.297  1.0
  Nd  Nd7  1  0.409  0.706  0.067  1.0
  Nd  Nd8  1  0.640  0.342  0.933  1.0
  Ge  Ge9  1  0.742  0.093  0.856  1.0
  Ge  Ge10  1  0.237  0.886  0.144  1.0
  Ge  Ge11  1  0.114  0.258  0.351  1.0
  Ge  Ge12  1  0.907  0.763  0.649  1.0
  O  O13  1  0.055  0.280  0.870  1.0
  O  O14  1  0.410  0.185  0.130  1.0
  O  O15  1  0.815  0.945  0.225  1.0
  O  O16  1  0.720  0.590  0.775  1.0
  O  O17  1  0.637  0.136  0.717  1.0
  O  O18  1  0.419  0.920  0.283  1.0
  O  O19  1  0.080  0.363  0.499  1.0
  O  O20  1  0.864  0.581  0.501  1.0
  O  O21  1  0.521  0.764  0.825  1.0
  O  O22  1  0.939  0.696  0.175  1.0
  O  O23  1  0.304  0.479  0.243  1.0
  O  O24  1  0.236  0.061  0.757  1.0
  O  O25  1  0.719  0.164  0.036  1.0
  O  O26  1  0.127  0.683  0.964  1.0
  O  O27  1  0.317  0.281  0.444  1.0
  O  O28  1  0.836  0.873  0.556  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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