The compound described by Na4Sc2(PO4)3 crystallizes in the trigonal R-3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Sc(1), and one P(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3ScP trigonal bipyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na4Sc2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   8.874
_cell_length_c   8.874
_cell_angle_alpha   63.262
_cell_angle_beta   63.262
_cell_angle_gamma   63.262
_symmetry_Int_Tables_number   1
_cell_volume   529.812
_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  0.386  0.114  0.750  1.0
  Na  Na1  1  0.886  0.250  0.614  1.0
  Na  Na2  1  0.114  0.750  0.386  1.0
  Na  Na3  1  0.750  0.386  0.114  1.0
  Na  Na4  1  0.250  0.614  0.886  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.614  0.886  0.250  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Sc  Sc8  1  0.656  0.656  0.656  1.0
  Sc  Sc9  1  0.156  0.156  0.156  1.0
  Sc  Sc10  1  0.844  0.844  0.844  1.0
  Sc  Sc11  1  0.344  0.344  0.344  1.0
  P  P12  1  0.058  0.442  0.750  1.0
  P  P13  1  0.558  0.250  0.942  1.0
  P  P14  1  0.942  0.558  0.250  1.0
  P  P15  1  0.750  0.058  0.442  1.0
  P  P16  1  0.250  0.942  0.558  1.0
  P  P17  1  0.442  0.750  0.058  1.0
  O  O18  1  0.590  0.231  0.424  1.0
  O  O19  1  0.424  0.590  0.231  1.0
  O  O20  1  0.296  0.104  0.529  1.0
  O  O21  1  0.269  0.910  0.076  1.0
  O  O22  1  0.396  0.204  0.971  1.0
  O  O23  1  0.076  0.269  0.910  1.0
  O  O24  1  0.029  0.604  0.796  1.0
  O  O25  1  0.924  0.731  0.090  1.0
  O  O26  1  0.971  0.396  0.204  1.0
  O  O27  1  0.731  0.090  0.924  1.0
  O  O28  1  0.576  0.410  0.769  1.0
  O  O29  1  0.204  0.971  0.396  1.0
  O  O30  1  0.104  0.529  0.296  1.0
  O  O31  1  0.231  0.424  0.590  1.0
  O  O32  1  0.896  0.471  0.704  1.0
  O  O33  1  0.471  0.704  0.896  1.0
  O  O34  1  0.604  0.796  0.029  1.0
  O  O35  1  0.090  0.924  0.731  1.0
  O  O36  1  0.410  0.769  0.576  1.0
  O  O37  1  0.910  0.076  0.269  1.0
  O  O38  1  0.769  0.576  0.410  1.0
  O  O39  1  0.704  0.896  0.471  1.0
  O  O40  1  0.796  0.029  0.604  1.0
  O  O41  1  0.529  0.296  0.104  1.0
[/CIF]
.
The compound described by Na4Sc2(PO4)3 crystallizes in the trigonal R-3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Sc(1), and one P(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3ScP trigonal bipyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na4Sc2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   8.874
_cell_length_c   8.874
_cell_angle_alpha   63.262
_cell_angle_beta   63.262
_cell_angle_gamma   63.262
_symmetry_Int_Tables_number   1
_cell_volume   529.812
_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  0.386  0.114  0.750  1.0
  Na  Na1  1  0.886  0.250  0.614  1.0
  Na  Na2  1  0.114  0.750  0.386  1.0
  Na  Na3  1  0.750  0.386  0.114  1.0
  Na  Na4  1  0.250  0.614  0.886  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.614  0.886  0.250  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Sc  Sc8  1  0.656  0.656  0.656  1.0
  Sc  Sc9  1  0.156  0.156  0.156  1.0
  Sc  Sc10  1  0.844  0.844  0.844  1.0
  Sc  Sc11  1  0.344  0.344  0.344  1.0
  P  P12  1  0.058  0.442  0.750  1.0
  P  P13  1  0.558  0.250  0.942  1.0
  P  P14  1  0.942  0.558  0.250  1.0
  P  P15  1  0.750  0.058  0.442  1.0
  P  P16  1  0.250  0.942  0.558  1.0
  P  P17  1  0.442  0.750  0.058  1.0
  O  O18  1  0.590  0.231  0.424  1.0
  O  O19  1  0.424  0.590  0.231  1.0
  O  O20  1  0.296  0.104  0.529  1.0
  O  O21  1  0.269  0.910  0.076  1.0
  O  O22  1  0.396  0.204  0.971  1.0
  O  O23  1  0.076  0.269  0.910  1.0
  O  O24  1  0.029  0.604  0.796  1.0
  O  O25  1  0.924  0.731  0.090  1.0
  O  O26  1  0.971  0.396  0.204  1.0
  O  O27  1  0.731  0.090  0.924  1.0
  O  O28  1  0.576  0.410  0.769  1.0
  O  O29  1  0.204  0.971  0.396  1.0
  O  O30  1  0.104  0.529  0.296  1.0
  O  O31  1  0.231  0.424  0.590  1.0
  O  O32  1  0.896  0.471  0.704  1.0
  O  O33  1  0.471  0.704  0.896  1.0
  O  O34  1  0.604  0.796  0.029  1.0
  O  O35  1  0.090  0.924  0.731  1.0
  O  O36  1  0.410  0.769  0.576  1.0
  O  O37  1  0.910  0.076  0.269  1.0
  O  O38  1  0.769  0.576  0.410  1.0
  O  O39  1  0.704  0.896  0.471  1.0
  O  O40  1  0.796  0.029  0.604  1.0
  O  O41  1  0.529  0.296  0.104  1.0
[/CIF]
.