The crystal structure described by Na4ScZn(PO4)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 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Sc(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Zn(1), and one P(1) atom to form distorted ONa3ZnP trigonal bipyramids that share corners with six equivalent O(4)Na3ScP trigonal bipyramids,  an edgeedge with one O(4)Na3ScP trigonal bipyramid, and faces with two equivalent O(3)Na3ZnP trigonal bipyramids. In the second O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Sc(1), and one P(1) atom to form distorted ONa3ScP trigonal bipyramids that share corners with six equivalent O(3)Na3ZnP trigonal bipyramids,  an edgeedge with one O(3)Na3ZnP trigonal bipyramid, and faces with two equivalent O(4)Na3ScP trigonal bipyramids. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4ScZn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.997
_cell_length_b   8.997
_cell_length_c   8.997
_cell_angle_alpha   60.964
_cell_angle_beta   60.964
_cell_angle_gamma   60.964
_symmetry_Int_Tables_number   1
_cell_volume   526.119
_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  0.620  0.236  1.0
  Na  Na1  1  0.620  0.236  0.885  1.0
  Na  Na2  1  0.236  0.885  0.620  1.0
  Na  Na3  1  0.385  0.736  0.120  1.0
  Na  Na4  1  0.736  0.120  0.385  1.0
  Na  Na5  1  0.120  0.385  0.736  1.0
  Na  Na6  1  0.495  0.495  0.495  1.0
  Na  Na7  1  0.995  0.995  0.995  1.0
  O  O8  1  0.528  0.116  0.284  1.0
  O  O9  1  0.116  0.284  0.528  1.0
  O  O10  1  0.284  0.528  0.116  1.0
  O  O11  1  0.028  0.784  0.616  1.0
  O  O12  1  0.784  0.616  0.028  1.0
  O  O13  1  0.616  0.028  0.784  1.0
  O  O14  1  0.483  0.882  0.718  1.0
  O  O15  1  0.882  0.718  0.483  1.0
  O  O16  1  0.718  0.483  0.882  1.0
  O  O17  1  0.983  0.218  0.382  1.0
  O  O18  1  0.218  0.382  0.983  1.0
  O  O19  1  0.382  0.983  0.218  1.0
  O  O20  1  0.425  0.225  0.590  1.0
  O  O21  1  0.225  0.590  0.425  1.0
  O  O22  1  0.590  0.425  0.225  1.0
  O  O23  1  0.925  0.090  0.725  1.0
  O  O24  1  0.090  0.725  0.925  1.0
  O  O25  1  0.725  0.925  0.090  1.0
  O  O26  1  0.568  0.777  0.417  1.0
  O  O27  1  0.777  0.417  0.568  1.0
  O  O28  1  0.417  0.568  0.777  1.0
  O  O29  1  0.068  0.917  0.277  1.0
  O  O30  1  0.917  0.277  0.068  1.0
  O  O31  1  0.277  0.068  0.917  1.0
  P  P32  1  0.551  0.952  0.251  1.0
  P  P33  1  0.952  0.251  0.551  1.0
  P  P34  1  0.251  0.551  0.952  1.0
  P  P35  1  0.051  0.751  0.452  1.0
  P  P36  1  0.751  0.452  0.051  1.0
  P  P37  1  0.452  0.051  0.751  1.0
  Sc  Sc38  1  0.650  0.650  0.650  1.0
  Sc  Sc39  1  0.150  0.150  0.150  1.0
  Zn  Zn40  1  0.344  0.344  0.344  1.0
  Zn  Zn41  1  0.844  0.844  0.844  1.0
[/CIF]
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The crystal structure described by Na4ScZn(PO4)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 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Sc(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Zn(1), and one P(1) atom to form distorted ONa3ZnP trigonal bipyramids that share corners with six equivalent O(4)Na3ScP trigonal bipyramids,  an edgeedge with one O(4)Na3ScP trigonal bipyramid, and faces with two equivalent O(3)Na3ZnP trigonal bipyramids. In the second O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Sc(1), and one P(1) atom to form distorted ONa3ScP trigonal bipyramids that share corners with six equivalent O(3)Na3ZnP trigonal bipyramids,  an edgeedge with one O(3)Na3ZnP trigonal bipyramid, and faces with two equivalent O(4)Na3ScP trigonal bipyramids. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4ScZn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.997
_cell_length_b   8.997
_cell_length_c   8.997
_cell_angle_alpha   60.964
_cell_angle_beta   60.964
_cell_angle_gamma   60.964
_symmetry_Int_Tables_number   1
_cell_volume   526.119
_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  0.620  0.236  1.0
  Na  Na1  1  0.620  0.236  0.885  1.0
  Na  Na2  1  0.236  0.885  0.620  1.0
  Na  Na3  1  0.385  0.736  0.120  1.0
  Na  Na4  1  0.736  0.120  0.385  1.0
  Na  Na5  1  0.120  0.385  0.736  1.0
  Na  Na6  1  0.495  0.495  0.495  1.0
  Na  Na7  1  0.995  0.995  0.995  1.0
  O  O8  1  0.528  0.116  0.284  1.0
  O  O9  1  0.116  0.284  0.528  1.0
  O  O10  1  0.284  0.528  0.116  1.0
  O  O11  1  0.028  0.784  0.616  1.0
  O  O12  1  0.784  0.616  0.028  1.0
  O  O13  1  0.616  0.028  0.784  1.0
  O  O14  1  0.483  0.882  0.718  1.0
  O  O15  1  0.882  0.718  0.483  1.0
  O  O16  1  0.718  0.483  0.882  1.0
  O  O17  1  0.983  0.218  0.382  1.0
  O  O18  1  0.218  0.382  0.983  1.0
  O  O19  1  0.382  0.983  0.218  1.0
  O  O20  1  0.425  0.225  0.590  1.0
  O  O21  1  0.225  0.590  0.425  1.0
  O  O22  1  0.590  0.425  0.225  1.0
  O  O23  1  0.925  0.090  0.725  1.0
  O  O24  1  0.090  0.725  0.925  1.0
  O  O25  1  0.725  0.925  0.090  1.0
  O  O26  1  0.568  0.777  0.417  1.0
  O  O27  1  0.777  0.417  0.568  1.0
  O  O28  1  0.417  0.568  0.777  1.0
  O  O29  1  0.068  0.917  0.277  1.0
  O  O30  1  0.917  0.277  0.068  1.0
  O  O31  1  0.277  0.068  0.917  1.0
  P  P32  1  0.551  0.952  0.251  1.0
  P  P33  1  0.952  0.251  0.551  1.0
  P  P34  1  0.251  0.551  0.952  1.0
  P  P35  1  0.051  0.751  0.452  1.0
  P  P36  1  0.751  0.452  0.051  1.0
  P  P37  1  0.452  0.051  0.751  1.0
  Sc  Sc38  1  0.650  0.650  0.650  1.0
  Sc  Sc39  1  0.150  0.150  0.150  1.0
  Zn  Zn40  1  0.344  0.344  0.344  1.0
  Zn  Zn41  1  0.844  0.844  0.844  1.0
[/CIF]
.