The crystal structure described by NaSc(SeO3)2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Sc(1) is bonded in an octahedral geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one Se(2) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Sc(1) and one Se(1) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1), one Sc(1), and one Se(2) atom. In the fourth O site, O(3) is bonded to two equivalent Na(1), one Sc(1), and one Se(1) atom to form a mixture of distorted edge and corner-sharing ONa2ScSe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSc(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   8.291
_cell_length_c   13.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.981
_cell_formula_units_Z   4
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  0.250  0.012  0.888  1.0
  Na  Na1  1  0.250  0.488  0.388  1.0
  Na  Na2  1  0.750  0.988  0.112  1.0
  Na  Na3  1  0.750  0.512  0.612  1.0
  Sc  Sc4  1  0.250  0.200  0.600  1.0
  Sc  Sc5  1  0.250  0.300  0.100  1.0
  Sc  Sc6  1  0.750  0.800  0.400  1.0
  Sc  Sc7  1  0.750  0.700  0.900  1.0
  Se  Se8  1  0.250  0.782  0.570  1.0
  Se  Se9  1  0.250  0.718  0.070  1.0
  Se  Se10  1  0.750  0.218  0.430  1.0
  Se  Se11  1  0.750  0.282  0.930  1.0
  Se  Se12  1  0.250  0.496  0.792  1.0
  Se  Se13  1  0.250  0.004  0.292  1.0
  Se  Se14  1  0.750  0.504  0.208  1.0
  Se  Se15  1  0.750  0.996  0.708  1.0
  O  O16  1  0.250  0.978  0.527  1.0
  O  O17  1  0.250  0.522  0.027  1.0
  O  O18  1  0.750  0.022  0.473  1.0
  O  O19  1  0.750  0.478  0.973  1.0
  O  O20  1  0.250  0.436  0.666  1.0
  O  O21  1  0.250  0.064  0.166  1.0
  O  O22  1  0.750  0.564  0.334  1.0
  O  O23  1  0.750  0.936  0.834  1.0
  O  O24  1  0.489  0.700  0.503  1.0
  O  O25  1  0.011  0.800  0.003  1.0
  O  O26  1  0.989  0.300  0.497  1.0
  O  O27  1  0.511  0.200  0.997  1.0
  O  O28  1  0.511  0.300  0.497  1.0
  O  O29  1  0.989  0.200  0.997  1.0
  O  O30  1  0.011  0.700  0.503  1.0
  O  O31  1  0.489  0.800  0.003  1.0
  O  O32  1  0.507  0.125  0.710  1.0
  O  O33  1  0.993  0.375  0.210  1.0
  O  O34  1  0.007  0.875  0.290  1.0
  O  O35  1  0.493  0.625  0.790  1.0
  O  O36  1  0.493  0.875  0.290  1.0
  O  O37  1  0.007  0.625  0.790  1.0
  O  O38  1  0.993  0.125  0.710  1.0
  O  O39  1  0.507  0.375  0.210  1.0
[/CIF]
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The crystal structure described by NaSc(SeO3)2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Sc(1) is bonded in an octahedral geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one Se(2) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Sc(1) and one Se(1) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1), one Sc(1), and one Se(2) atom. In the fourth O site, O(3) is bonded to two equivalent Na(1), one Sc(1), and one Se(1) atom to form a mixture of distorted edge and corner-sharing ONa2ScSe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSc(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   8.291
_cell_length_c   13.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.981
_cell_formula_units_Z   4
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  0.250  0.012  0.888  1.0
  Na  Na1  1  0.250  0.488  0.388  1.0
  Na  Na2  1  0.750  0.988  0.112  1.0
  Na  Na3  1  0.750  0.512  0.612  1.0
  Sc  Sc4  1  0.250  0.200  0.600  1.0
  Sc  Sc5  1  0.250  0.300  0.100  1.0
  Sc  Sc6  1  0.750  0.800  0.400  1.0
  Sc  Sc7  1  0.750  0.700  0.900  1.0
  Se  Se8  1  0.250  0.782  0.570  1.0
  Se  Se9  1  0.250  0.718  0.070  1.0
  Se  Se10  1  0.750  0.218  0.430  1.0
  Se  Se11  1  0.750  0.282  0.930  1.0
  Se  Se12  1  0.250  0.496  0.792  1.0
  Se  Se13  1  0.250  0.004  0.292  1.0
  Se  Se14  1  0.750  0.504  0.208  1.0
  Se  Se15  1  0.750  0.996  0.708  1.0
  O  O16  1  0.250  0.978  0.527  1.0
  O  O17  1  0.250  0.522  0.027  1.0
  O  O18  1  0.750  0.022  0.473  1.0
  O  O19  1  0.750  0.478  0.973  1.0
  O  O20  1  0.250  0.436  0.666  1.0
  O  O21  1  0.250  0.064  0.166  1.0
  O  O22  1  0.750  0.564  0.334  1.0
  O  O23  1  0.750  0.936  0.834  1.0
  O  O24  1  0.489  0.700  0.503  1.0
  O  O25  1  0.011  0.800  0.003  1.0
  O  O26  1  0.989  0.300  0.497  1.0
  O  O27  1  0.511  0.200  0.997  1.0
  O  O28  1  0.511  0.300  0.497  1.0
  O  O29  1  0.989  0.200  0.997  1.0
  O  O30  1  0.011  0.700  0.503  1.0
  O  O31  1  0.489  0.800  0.003  1.0
  O  O32  1  0.507  0.125  0.710  1.0
  O  O33  1  0.993  0.375  0.210  1.0
  O  O34  1  0.007  0.875  0.290  1.0
  O  O35  1  0.493  0.625  0.790  1.0
  O  O36  1  0.493  0.875  0.290  1.0
  O  O37  1  0.007  0.625  0.790  1.0
  O  O38  1  0.993  0.125  0.710  1.0
  O  O39  1  0.507  0.375  0.210  1.0
[/CIF]
.