The material structure described by Na4ScNb(SiO4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Sc(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Nb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NbO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Sc(1), and one Si(1) atom to form distorted face-sharing ONa3ScSi trigonal bipyramids. In the second O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Nb(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Nb(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_Na4ScNb(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.180
_cell_length_b   9.180
_cell_length_c   9.180
_cell_angle_alpha   60.263
_cell_angle_beta   60.263
_cell_angle_gamma   60.263
_symmetry_Int_Tables_number   1
_cell_volume   550.327
_cell_formula_units_Z   2
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  0.885  0.622  0.234  1.0
  Na  Na1  1  0.622  0.234  0.885  1.0
  Na  Na2  1  0.234  0.885  0.622  1.0
  Na  Na3  1  0.385  0.734  0.122  1.0
  Na  Na4  1  0.734  0.122  0.385  1.0
  Na  Na5  1  0.122  0.385  0.734  1.0
  Na  Na6  1  0.495  0.495  0.495  1.0
  Na  Na7  1  0.995  0.995  0.995  1.0
  Nb  Nb8  1  0.647  0.647  0.647  1.0
  Nb  Nb9  1  0.147  0.147  0.147  1.0
  O  O10  1  0.518  0.129  0.283  1.0
  O  O11  1  0.129  0.283  0.518  1.0
  O  O12  1  0.283  0.518  0.129  1.0
  O  O13  1  0.018  0.783  0.629  1.0
  O  O14  1  0.783  0.629  0.018  1.0
  O  O15  1  0.629  0.018  0.783  1.0
  O  O16  1  0.496  0.860  0.723  1.0
  O  O17  1  0.860  0.723  0.496  1.0
  O  O18  1  0.723  0.496  0.860  1.0
  O  O19  1  0.996  0.223  0.360  1.0
  O  O20  1  0.223  0.360  0.996  1.0
  O  O21  1  0.360  0.996  0.223  1.0
  O  O22  1  0.425  0.226  0.587  1.0
  O  O23  1  0.226  0.587  0.425  1.0
  O  O24  1  0.587  0.425  0.226  1.0
  O  O25  1  0.925  0.087  0.726  1.0
  O  O26  1  0.087  0.726  0.925  1.0
  O  O27  1  0.726  0.925  0.087  1.0
  O  O28  1  0.555  0.775  0.433  1.0
  O  O29  1  0.775  0.433  0.555  1.0
  O  O30  1  0.433  0.555  0.775  1.0
  O  O31  1  0.055  0.933  0.275  1.0
  O  O32  1  0.933  0.275  0.055  1.0
  O  O33  1  0.275  0.055  0.933  1.0
  Sc  Sc34  1  0.352  0.352  0.352  1.0
  Sc  Sc35  1  0.852  0.852  0.852  1.0
  Si  Si36  1  0.544  0.958  0.253  1.0
  Si  Si37  1  0.958  0.253  0.544  1.0
  Si  Si38  1  0.253  0.544  0.958  1.0
  Si  Si39  1  0.044  0.753  0.458  1.0
  Si  Si40  1  0.753  0.458  0.044  1.0
  Si  Si41  1  0.458  0.044  0.753  1.0
[/CIF]
.
The material structure described by Na4ScNb(SiO4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Sc(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Nb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NbO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Sc(1), and one Si(1) atom to form distorted face-sharing ONa3ScSi trigonal bipyramids. In the second O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Nb(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Nb(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_Na4ScNb(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.180
_cell_length_b   9.180
_cell_length_c   9.180
_cell_angle_alpha   60.263
_cell_angle_beta   60.263
_cell_angle_gamma   60.263
_symmetry_Int_Tables_number   1
_cell_volume   550.327
_cell_formula_units_Z   2
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  0.885  0.622  0.234  1.0
  Na  Na1  1  0.622  0.234  0.885  1.0
  Na  Na2  1  0.234  0.885  0.622  1.0
  Na  Na3  1  0.385  0.734  0.122  1.0
  Na  Na4  1  0.734  0.122  0.385  1.0
  Na  Na5  1  0.122  0.385  0.734  1.0
  Na  Na6  1  0.495  0.495  0.495  1.0
  Na  Na7  1  0.995  0.995  0.995  1.0
  Nb  Nb8  1  0.647  0.647  0.647  1.0
  Nb  Nb9  1  0.147  0.147  0.147  1.0
  O  O10  1  0.518  0.129  0.283  1.0
  O  O11  1  0.129  0.283  0.518  1.0
  O  O12  1  0.283  0.518  0.129  1.0
  O  O13  1  0.018  0.783  0.629  1.0
  O  O14  1  0.783  0.629  0.018  1.0
  O  O15  1  0.629  0.018  0.783  1.0
  O  O16  1  0.496  0.860  0.723  1.0
  O  O17  1  0.860  0.723  0.496  1.0
  O  O18  1  0.723  0.496  0.860  1.0
  O  O19  1  0.996  0.223  0.360  1.0
  O  O20  1  0.223  0.360  0.996  1.0
  O  O21  1  0.360  0.996  0.223  1.0
  O  O22  1  0.425  0.226  0.587  1.0
  O  O23  1  0.226  0.587  0.425  1.0
  O  O24  1  0.587  0.425  0.226  1.0
  O  O25  1  0.925  0.087  0.726  1.0
  O  O26  1  0.087  0.726  0.925  1.0
  O  O27  1  0.726  0.925  0.087  1.0
  O  O28  1  0.555  0.775  0.433  1.0
  O  O29  1  0.775  0.433  0.555  1.0
  O  O30  1  0.433  0.555  0.775  1.0
  O  O31  1  0.055  0.933  0.275  1.0
  O  O32  1  0.933  0.275  0.055  1.0
  O  O33  1  0.275  0.055  0.933  1.0
  Sc  Sc34  1  0.352  0.352  0.352  1.0
  Sc  Sc35  1  0.852  0.852  0.852  1.0
  Si  Si36  1  0.544  0.958  0.253  1.0
  Si  Si37  1  0.958  0.253  0.544  1.0
  Si  Si38  1  0.253  0.544  0.958  1.0
  Si  Si39  1  0.044  0.753  0.458  1.0
  Si  Si40  1  0.753  0.458  0.044  1.0
  Si  Si41  1  0.458  0.044  0.753  1.0
[/CIF]
.