The crystal structure described by Na4MgSc(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 8-coordinate geometry to two equivalent O(1), two equivalent 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. Mg(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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. 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 Mg(1)O6 octahedra and corners with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom to form distorted ONa3MgP 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)Na3MgP 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)Na3MgP trigonal bipyramids,  an edgeedge with one O(3)Na3MgP trigonal bipyramid, and faces with two equivalent O(4)Na3ScP trigonal bipyramids. In the third O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Mg(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Sc(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgSc(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.059
_cell_length_b   9.059
_cell_length_c   9.059
_cell_angle_alpha   60.089
_cell_angle_beta   60.089
_cell_angle_gamma   60.089
_symmetry_Int_Tables_number   1
_cell_volume   526.732
_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
  Mg  Mg0  1  0.350  0.350  0.350  1.0
  Mg  Mg1  1  0.850  0.850  0.850  1.0
  Na  Na2  1  0.886  0.617  0.243  1.0
  Na  Na3  1  0.617  0.243  0.886  1.0
  Na  Na4  1  0.243  0.886  0.617  1.0
  Na  Na5  1  0.386  0.743  0.117  1.0
  Na  Na6  1  0.743  0.117  0.386  1.0
  Na  Na7  1  0.117  0.386  0.743  1.0
  Na  Na8  1  0.497  0.497  0.497  1.0
  Na  Na9  1  0.997  0.997  0.997  1.0
  O  O10  1  0.519  0.122  0.280  1.0
  O  O11  1  0.122  0.280  0.519  1.0
  O  O12  1  0.280  0.519  0.122  1.0
  O  O13  1  0.019  0.780  0.622  1.0
  O  O14  1  0.780  0.622  0.019  1.0
  O  O15  1  0.622  0.019  0.780  1.0
  O  O16  1  0.482  0.879  0.722  1.0
  O  O17  1  0.879  0.722  0.482  1.0
  O  O18  1  0.722  0.482  0.879  1.0
  O  O19  1  0.982  0.222  0.379  1.0
  O  O20  1  0.222  0.379  0.982  1.0
  O  O21  1  0.379  0.982  0.222  1.0
  O  O22  1  0.429  0.223  0.584  1.0
  O  O23  1  0.223  0.584  0.429  1.0
  O  O24  1  0.584  0.429  0.223  1.0
  O  O25  1  0.929  0.084  0.723  1.0
  O  O26  1  0.084  0.723  0.929  1.0
  O  O27  1  0.723  0.929  0.084  1.0
  O  O28  1  0.568  0.779  0.417  1.0
  O  O29  1  0.779  0.417  0.568  1.0
  O  O30  1  0.417  0.568  0.779  1.0
  O  O31  1  0.068  0.917  0.279  1.0
  O  O32  1  0.917  0.279  0.068  1.0
  O  O33  1  0.279  0.068  0.917  1.0
  P  P34  1  0.548  0.956  0.250  1.0
  P  P35  1  0.956  0.250  0.548  1.0
  P  P36  1  0.250  0.548  0.956  1.0
  P  P37  1  0.048  0.750  0.456  1.0
  P  P38  1  0.750  0.456  0.048  1.0
  P  P39  1  0.456  0.048  0.750  1.0
  Sc  Sc40  1  0.650  0.650  0.650  1.0
  Sc  Sc41  1  0.150  0.150  0.150  1.0
[/CIF]
.
The crystal structure described by Na4MgSc(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 8-coordinate geometry to two equivalent O(1), two equivalent 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. Mg(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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. 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 Mg(1)O6 octahedra and corners with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom to form distorted ONa3MgP 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)Na3MgP 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)Na3MgP trigonal bipyramids,  an edgeedge with one O(3)Na3MgP trigonal bipyramid, and faces with two equivalent O(4)Na3ScP trigonal bipyramids. In the third O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Mg(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Sc(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgSc(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.059
_cell_length_b   9.059
_cell_length_c   9.059
_cell_angle_alpha   60.089
_cell_angle_beta   60.089
_cell_angle_gamma   60.089
_symmetry_Int_Tables_number   1
_cell_volume   526.732
_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
  Mg  Mg0  1  0.350  0.350  0.350  1.0
  Mg  Mg1  1  0.850  0.850  0.850  1.0
  Na  Na2  1  0.886  0.617  0.243  1.0
  Na  Na3  1  0.617  0.243  0.886  1.0
  Na  Na4  1  0.243  0.886  0.617  1.0
  Na  Na5  1  0.386  0.743  0.117  1.0
  Na  Na6  1  0.743  0.117  0.386  1.0
  Na  Na7  1  0.117  0.386  0.743  1.0
  Na  Na8  1  0.497  0.497  0.497  1.0
  Na  Na9  1  0.997  0.997  0.997  1.0
  O  O10  1  0.519  0.122  0.280  1.0
  O  O11  1  0.122  0.280  0.519  1.0
  O  O12  1  0.280  0.519  0.122  1.0
  O  O13  1  0.019  0.780  0.622  1.0
  O  O14  1  0.780  0.622  0.019  1.0
  O  O15  1  0.622  0.019  0.780  1.0
  O  O16  1  0.482  0.879  0.722  1.0
  O  O17  1  0.879  0.722  0.482  1.0
  O  O18  1  0.722  0.482  0.879  1.0
  O  O19  1  0.982  0.222  0.379  1.0
  O  O20  1  0.222  0.379  0.982  1.0
  O  O21  1  0.379  0.982  0.222  1.0
  O  O22  1  0.429  0.223  0.584  1.0
  O  O23  1  0.223  0.584  0.429  1.0
  O  O24  1  0.584  0.429  0.223  1.0
  O  O25  1  0.929  0.084  0.723  1.0
  O  O26  1  0.084  0.723  0.929  1.0
  O  O27  1  0.723  0.929  0.084  1.0
  O  O28  1  0.568  0.779  0.417  1.0
  O  O29  1  0.779  0.417  0.568  1.0
  O  O30  1  0.417  0.568  0.779  1.0
  O  O31  1  0.068  0.917  0.279  1.0
  O  O32  1  0.917  0.279  0.068  1.0
  O  O33  1  0.279  0.068  0.917  1.0
  P  P34  1  0.548  0.956  0.250  1.0
  P  P35  1  0.956  0.250  0.548  1.0
  P  P36  1  0.250  0.548  0.956  1.0
  P  P37  1  0.048  0.750  0.456  1.0
  P  P38  1  0.750  0.456  0.048  1.0
  P  P39  1  0.456  0.048  0.750  1.0
  Sc  Sc40  1  0.650  0.650  0.650  1.0
  Sc  Sc41  1  0.150  0.150  0.150  1.0
[/CIF]
.