The structure described by Na5GdO4 is pyrite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Gd(1)O4 tetrahedra. Gd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted GdO4 tetrahedra that share corners with four equivalent Na(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(2), and one Gd(1) atom. In the third O site, O(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom to form corner-sharing ONa5Gd octahedra. The corner-sharing octahedral tilt angles range from 42-51°. is represented by the CIF card [CIF]
data_Na5GdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   6.137
_cell_length_c   8.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.493
_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  0.947  0.080  0.318  1.0
  Na  Na1  1  0.947  0.080  0.682  1.0
  Na  Na2  1  0.760  0.600  0.692  1.0
  Na  Na3  1  0.760  0.600  0.308  1.0
  Na  Na4  1  0.726  0.339  0.000  1.0
  Na  Na5  1  0.447  0.920  0.818  1.0
  Na  Na6  1  0.447  0.920  0.182  1.0
  Na  Na7  1  0.260  0.400  0.808  1.0
  Na  Na8  1  0.260  0.400  0.192  1.0
  Na  Na9  1  0.226  0.661  0.500  1.0
  Gd  Gd10  1  0.992  0.839  0.000  1.0
  Gd  Gd11  1  0.492  0.161  0.500  1.0
  O  O12  1  0.653  0.739  0.000  1.0
  O  O13  1  0.587  0.818  0.500  1.0
  O  O14  1  0.610  0.259  0.265  1.0
  O  O15  1  0.610  0.259  0.735  1.0
  O  O16  1  0.153  0.261  0.500  1.0
  O  O17  1  0.087  0.182  0.000  1.0
  O  O18  1  0.110  0.741  0.765  1.0
  O  O19  1  0.110  0.741  0.235  1.0
[/CIF]
.
The structure described by Na5GdO4 is pyrite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Gd(1)O4 tetrahedra. Gd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted GdO4 tetrahedra that share corners with four equivalent Na(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(2), and one Gd(1) atom. In the third O site, O(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom to form corner-sharing ONa5Gd octahedra. The corner-sharing octahedral tilt angles range from 42-51°. is represented by the CIF card [CIF]
data_Na5GdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   6.137
_cell_length_c   8.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.493
_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  0.947  0.080  0.318  1.0
  Na  Na1  1  0.947  0.080  0.682  1.0
  Na  Na2  1  0.760  0.600  0.692  1.0
  Na  Na3  1  0.760  0.600  0.308  1.0
  Na  Na4  1  0.726  0.339  0.000  1.0
  Na  Na5  1  0.447  0.920  0.818  1.0
  Na  Na6  1  0.447  0.920  0.182  1.0
  Na  Na7  1  0.260  0.400  0.808  1.0
  Na  Na8  1  0.260  0.400  0.192  1.0
  Na  Na9  1  0.226  0.661  0.500  1.0
  Gd  Gd10  1  0.992  0.839  0.000  1.0
  Gd  Gd11  1  0.492  0.161  0.500  1.0
  O  O12  1  0.653  0.739  0.000  1.0
  O  O13  1  0.587  0.818  0.500  1.0
  O  O14  1  0.610  0.259  0.265  1.0
  O  O15  1  0.610  0.259  0.735  1.0
  O  O16  1  0.153  0.261  0.500  1.0
  O  O17  1  0.087  0.182  0.000  1.0
  O  O18  1  0.110  0.741  0.765  1.0
  O  O19  1  0.110  0.741  0.235  1.0
[/CIF]
.