The material described by Na2TbO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with five equivalent Tb(1)O6 octahedra, and edges with seven equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. Tb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TbO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Tb(1)O6 octahedra, and edges with ten equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. is represented by the CIF card [CIF]
data_Na2TbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   6.010
_cell_angle_alpha   146.682
_cell_angle_beta   134.129
_cell_angle_gamma   57.866
_symmetry_Int_Tables_number   1
_cell_volume   84.891
_cell_formula_units_Z   1
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  0.675  0.675  0.000  1.0
  Na  Na1  1  0.325  0.325  0.000  1.0
  Tb  Tb2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.144  0.644  0.500  1.0
  O  O5  1  0.856  0.356  0.500  1.0
[/CIF]
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The material described by Na2TbO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with five equivalent Tb(1)O6 octahedra, and edges with seven equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. Tb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TbO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Tb(1)O6 octahedra, and edges with ten equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. is represented by the CIF card [CIF]
data_Na2TbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   6.010
_cell_angle_alpha   146.682
_cell_angle_beta   134.129
_cell_angle_gamma   57.866
_symmetry_Int_Tables_number   1
_cell_volume   84.891
_cell_formula_units_Z   1
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  0.675  0.675  0.000  1.0
  Na  Na1  1  0.325  0.325  0.000  1.0
  Tb  Tb2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.144  0.644  0.500  1.0
  O  O5  1  0.856  0.356  0.500  1.0
[/CIF]
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