The crystal structure described by Na5Sc(C2O7)2 crystallizes in the tetragonal P-42_1c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Sc(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(4) is bonded in a water-like geometry to two equivalent Na(2) atoms. In the third O site, O(1) is bonded to two equivalent Na(2), one Sc(1), and one C(1) atom to form distorted corner-sharing ONa2ScC tetrahedra. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Na(2), one Sc(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Na5Sc(C2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.464
_cell_length_c   11.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.982
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.693  0.804  0.708  1.0
  Na  Na3  1  0.193  0.696  0.792  1.0
  Na  Na4  1  0.307  0.196  0.708  1.0
  Na  Na5  1  0.807  0.304  0.792  1.0
  Na  Na6  1  0.804  0.307  0.292  1.0
  Na  Na7  1  0.696  0.807  0.208  1.0
  Na  Na8  1  0.196  0.693  0.292  1.0
  Na  Na9  1  0.304  0.193  0.208  1.0
  Sc  Sc10  1  0.500  0.500  0.500  1.0
  Sc  Sc11  1  0.000  0.000  0.000  1.0
  C  C12  1  0.787  0.673  0.421  1.0
  C  C13  1  0.287  0.827  0.079  1.0
  C  C14  1  0.213  0.327  0.421  1.0
  C  C15  1  0.713  0.173  0.079  1.0
  C  C16  1  0.673  0.213  0.579  1.0
  C  C17  1  0.827  0.713  0.921  1.0
  C  C18  1  0.327  0.787  0.579  1.0
  C  C19  1  0.173  0.287  0.921  1.0
  O  O20  1  0.672  0.587  0.355  1.0
  O  O21  1  0.172  0.913  0.145  1.0
  O  O22  1  0.328  0.413  0.355  1.0
  O  O23  1  0.828  0.087  0.145  1.0
  O  O24  1  0.587  0.328  0.645  1.0
  O  O25  1  0.913  0.828  0.855  1.0
  O  O26  1  0.413  0.672  0.645  1.0
  O  O27  1  0.087  0.172  0.855  1.0
  O  O28  1  0.754  0.658  0.532  1.0
  O  O29  1  0.254  0.842  0.968  1.0
  O  O30  1  0.246  0.342  0.532  1.0
  O  O31  1  0.746  0.158  0.968  1.0
  O  O32  1  0.658  0.246  0.468  1.0
  O  O33  1  0.842  0.746  0.032  1.0
  O  O34  1  0.342  0.754  0.468  1.0
  O  O35  1  0.158  0.254  0.032  1.0
  O  O36  1  0.915  0.764  0.379  1.0
  O  O37  1  0.415  0.736  0.121  1.0
  O  O38  1  0.085  0.236  0.379  1.0
  O  O39  1  0.585  0.264  0.121  1.0
  O  O40  1  0.764  0.085  0.621  1.0
  O  O41  1  0.736  0.585  0.879  1.0
  O  O42  1  0.236  0.915  0.621  1.0
  O  O43  1  0.264  0.415  0.879  1.0
  O  O44  1  0.000  0.500  0.660  1.0
  O  O45  1  0.500  0.000  0.840  1.0
  O  O46  1  0.500  0.000  0.340  1.0
  O  O47  1  0.000  0.500  0.160  1.0
[/CIF]
.
The crystal structure described by Na5Sc(C2O7)2 crystallizes in the tetragonal P-42_1c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Sc(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(4) is bonded in a water-like geometry to two equivalent Na(2) atoms. In the third O site, O(1) is bonded to two equivalent Na(2), one Sc(1), and one C(1) atom to form distorted corner-sharing ONa2ScC tetrahedra. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Na(2), one Sc(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Na5Sc(C2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.464
_cell_length_c   11.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.982
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.693  0.804  0.708  1.0
  Na  Na3  1  0.193  0.696  0.792  1.0
  Na  Na4  1  0.307  0.196  0.708  1.0
  Na  Na5  1  0.807  0.304  0.792  1.0
  Na  Na6  1  0.804  0.307  0.292  1.0
  Na  Na7  1  0.696  0.807  0.208  1.0
  Na  Na8  1  0.196  0.693  0.292  1.0
  Na  Na9  1  0.304  0.193  0.208  1.0
  Sc  Sc10  1  0.500  0.500  0.500  1.0
  Sc  Sc11  1  0.000  0.000  0.000  1.0
  C  C12  1  0.787  0.673  0.421  1.0
  C  C13  1  0.287  0.827  0.079  1.0
  C  C14  1  0.213  0.327  0.421  1.0
  C  C15  1  0.713  0.173  0.079  1.0
  C  C16  1  0.673  0.213  0.579  1.0
  C  C17  1  0.827  0.713  0.921  1.0
  C  C18  1  0.327  0.787  0.579  1.0
  C  C19  1  0.173  0.287  0.921  1.0
  O  O20  1  0.672  0.587  0.355  1.0
  O  O21  1  0.172  0.913  0.145  1.0
  O  O22  1  0.328  0.413  0.355  1.0
  O  O23  1  0.828  0.087  0.145  1.0
  O  O24  1  0.587  0.328  0.645  1.0
  O  O25  1  0.913  0.828  0.855  1.0
  O  O26  1  0.413  0.672  0.645  1.0
  O  O27  1  0.087  0.172  0.855  1.0
  O  O28  1  0.754  0.658  0.532  1.0
  O  O29  1  0.254  0.842  0.968  1.0
  O  O30  1  0.246  0.342  0.532  1.0
  O  O31  1  0.746  0.158  0.968  1.0
  O  O32  1  0.658  0.246  0.468  1.0
  O  O33  1  0.842  0.746  0.032  1.0
  O  O34  1  0.342  0.754  0.468  1.0
  O  O35  1  0.158  0.254  0.032  1.0
  O  O36  1  0.915  0.764  0.379  1.0
  O  O37  1  0.415  0.736  0.121  1.0
  O  O38  1  0.085  0.236  0.379  1.0
  O  O39  1  0.585  0.264  0.121  1.0
  O  O40  1  0.764  0.085  0.621  1.0
  O  O41  1  0.736  0.585  0.879  1.0
  O  O42  1  0.236  0.915  0.621  1.0
  O  O43  1  0.264  0.415  0.879  1.0
  O  O44  1  0.000  0.500  0.660  1.0
  O  O45  1  0.500  0.000  0.840  1.0
  O  O46  1  0.500  0.000  0.340  1.0
  O  O47  1  0.000  0.500  0.160  1.0
[/CIF]
.