The crystal structure described by Na3Sc2(MoO4)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(5) and four equivalent O(6) atoms. Sc(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form ScO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Sc(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form MoO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Sc(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(2), one Sc(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Sc(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(3), one Sc(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing ONa2ScMo tetrahedra. is represented by the CIF card [CIF]
data_Na3Sc2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.235
_cell_length_b   9.235
_cell_length_c   7.288
_cell_angle_alpha   75.704
_cell_angle_beta   75.704
_cell_angle_gamma   95.066
_symmetry_Int_Tables_number   1
_cell_volume   576.237
_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  0.231  0.769  0.250  1.0
  Na  Na1  1  0.769  0.231  0.750  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.513  0.487  0.250  1.0
  Na  Na5  1  0.487  0.513  0.750  1.0
  Sc  Sc6  1  0.554  0.868  0.377  1.0
  Sc  Sc7  1  0.446  0.132  0.623  1.0
  Sc  Sc8  1  0.132  0.446  0.123  1.0
  Sc  Sc9  1  0.868  0.554  0.877  1.0
  Mo  Mo10  1  0.782  0.218  0.250  1.0
  Mo  Mo11  1  0.218  0.782  0.750  1.0
  Mo  Mo12  1  0.378  0.154  0.122  1.0
  Mo  Mo13  1  0.622  0.846  0.878  1.0
  Mo  Mo14  1  0.846  0.622  0.378  1.0
  Mo  Mo15  1  0.154  0.378  0.622  1.0
  O  O16  1  0.463  0.087  0.340  1.0
  O  O17  1  0.537  0.913  0.660  1.0
  O  O18  1  0.913  0.537  0.160  1.0
  O  O19  1  0.087  0.463  0.840  1.0
  O  O20  1  0.498  0.842  0.126  1.0
  O  O21  1  0.502  0.158  0.874  1.0
  O  O22  1  0.158  0.502  0.374  1.0
  O  O23  1  0.842  0.498  0.626  1.0
  O  O24  1  0.199  0.034  0.209  1.0
  O  O25  1  0.801  0.966  0.791  1.0
  O  O26  1  0.966  0.801  0.291  1.0
  O  O27  1  0.034  0.199  0.709  1.0
  O  O28  1  0.759  0.020  0.231  1.0
  O  O29  1  0.241  0.980  0.769  1.0
  O  O30  1  0.980  0.241  0.269  1.0
  O  O31  1  0.020  0.759  0.731  1.0
  O  O32  1  0.664  0.263  0.472  1.0
  O  O33  1  0.336  0.737  0.528  1.0
  O  O34  1  0.737  0.336  0.028  1.0
  O  O35  1  0.263  0.664  0.972  1.0
  O  O36  1  0.644  0.666  0.416  1.0
  O  O37  1  0.356  0.334  0.584  1.0
  O  O38  1  0.334  0.356  0.084  1.0
  O  O39  1  0.666  0.644  0.916  1.0
[/CIF]
.
The crystal structure described by Na3Sc2(MoO4)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(5) and four equivalent O(6) atoms. Sc(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form ScO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Sc(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form MoO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Sc(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(2), one Sc(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Sc(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(3), one Sc(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing ONa2ScMo tetrahedra. is represented by the CIF card [CIF]
data_Na3Sc2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.235
_cell_length_b   9.235
_cell_length_c   7.288
_cell_angle_alpha   75.704
_cell_angle_beta   75.704
_cell_angle_gamma   95.066
_symmetry_Int_Tables_number   1
_cell_volume   576.237
_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  0.231  0.769  0.250  1.0
  Na  Na1  1  0.769  0.231  0.750  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.513  0.487  0.250  1.0
  Na  Na5  1  0.487  0.513  0.750  1.0
  Sc  Sc6  1  0.554  0.868  0.377  1.0
  Sc  Sc7  1  0.446  0.132  0.623  1.0
  Sc  Sc8  1  0.132  0.446  0.123  1.0
  Sc  Sc9  1  0.868  0.554  0.877  1.0
  Mo  Mo10  1  0.782  0.218  0.250  1.0
  Mo  Mo11  1  0.218  0.782  0.750  1.0
  Mo  Mo12  1  0.378  0.154  0.122  1.0
  Mo  Mo13  1  0.622  0.846  0.878  1.0
  Mo  Mo14  1  0.846  0.622  0.378  1.0
  Mo  Mo15  1  0.154  0.378  0.622  1.0
  O  O16  1  0.463  0.087  0.340  1.0
  O  O17  1  0.537  0.913  0.660  1.0
  O  O18  1  0.913  0.537  0.160  1.0
  O  O19  1  0.087  0.463  0.840  1.0
  O  O20  1  0.498  0.842  0.126  1.0
  O  O21  1  0.502  0.158  0.874  1.0
  O  O22  1  0.158  0.502  0.374  1.0
  O  O23  1  0.842  0.498  0.626  1.0
  O  O24  1  0.199  0.034  0.209  1.0
  O  O25  1  0.801  0.966  0.791  1.0
  O  O26  1  0.966  0.801  0.291  1.0
  O  O27  1  0.034  0.199  0.709  1.0
  O  O28  1  0.759  0.020  0.231  1.0
  O  O29  1  0.241  0.980  0.769  1.0
  O  O30  1  0.980  0.241  0.269  1.0
  O  O31  1  0.020  0.759  0.731  1.0
  O  O32  1  0.664  0.263  0.472  1.0
  O  O33  1  0.336  0.737  0.528  1.0
  O  O34  1  0.737  0.336  0.028  1.0
  O  O35  1  0.263  0.664  0.972  1.0
  O  O36  1  0.644  0.666  0.416  1.0
  O  O37  1  0.356  0.334  0.584  1.0
  O  O38  1  0.334  0.356  0.084  1.0
  O  O39  1  0.666  0.644  0.916  1.0
[/CIF]
.