The crystal structure described by Na5LaO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with four equivalent La(1)O4 tetrahedra. La(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LaO4 tetrahedra that share corners with four equivalent Na(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), four equivalent Na(1), and one La(1) atom to form a mixture of corner and edge-sharing ONa5La octahedra. The corner-sharing octahedral tilt angles range from 61-64°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one La(1) atom. is represented by the CIF file [CIF]
data_Na5LaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   7.677
_cell_length_c   8.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.551
_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  0.252  0.760  0.809  1.0
  Na  Na1  1  0.252  0.240  0.809  1.0
  Na  Na2  1  0.782  0.500  0.000  1.0
  Na  Na3  1  0.252  0.240  0.191  1.0
  Na  Na4  1  0.252  0.760  0.191  1.0
  Na  Na5  1  0.748  0.260  0.309  1.0
  Na  Na6  1  0.748  0.740  0.309  1.0
  Na  Na7  1  0.218  0.000  0.500  1.0
  Na  Na8  1  0.748  0.260  0.691  1.0
  Na  Na9  1  0.748  0.740  0.691  1.0
  La  La10  1  0.778  0.000  0.000  1.0
  La  La11  1  0.222  0.500  0.500  1.0
  O  O12  1  0.996  0.000  0.759  1.0
  O  O13  1  0.556  0.244  0.000  1.0
  O  O14  1  0.556  0.756  0.000  1.0
  O  O15  1  0.996  0.000  0.241  1.0
  O  O16  1  0.004  0.500  0.259  1.0
  O  O17  1  0.444  0.256  0.500  1.0
  O  O18  1  0.444  0.744  0.500  1.0
  O  O19  1  0.004  0.500  0.741  1.0
[/CIF]
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The crystal structure described by Na5LaO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with four equivalent La(1)O4 tetrahedra. La(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LaO4 tetrahedra that share corners with four equivalent Na(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), four equivalent Na(1), and one La(1) atom to form a mixture of corner and edge-sharing ONa5La octahedra. The corner-sharing octahedral tilt angles range from 61-64°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one La(1) atom. is represented by the CIF file [CIF]
data_Na5LaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   7.677
_cell_length_c   8.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.551
_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  0.252  0.760  0.809  1.0
  Na  Na1  1  0.252  0.240  0.809  1.0
  Na  Na2  1  0.782  0.500  0.000  1.0
  Na  Na3  1  0.252  0.240  0.191  1.0
  Na  Na4  1  0.252  0.760  0.191  1.0
  Na  Na5  1  0.748  0.260  0.309  1.0
  Na  Na6  1  0.748  0.740  0.309  1.0
  Na  Na7  1  0.218  0.000  0.500  1.0
  Na  Na8  1  0.748  0.260  0.691  1.0
  Na  Na9  1  0.748  0.740  0.691  1.0
  La  La10  1  0.778  0.000  0.000  1.0
  La  La11  1  0.222  0.500  0.500  1.0
  O  O12  1  0.996  0.000  0.759  1.0
  O  O13  1  0.556  0.244  0.000  1.0
  O  O14  1  0.556  0.756  0.000  1.0
  O  O15  1  0.996  0.000  0.241  1.0
  O  O16  1  0.004  0.500  0.259  1.0
  O  O17  1  0.444  0.256  0.500  1.0
  O  O18  1  0.444  0.744  0.500  1.0
  O  O19  1  0.004  0.500  0.741  1.0
[/CIF]
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