The material structure described by La3SbO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second La site, La(2) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent La(2)O7 pentagonal bipyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-38°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent La(2)O7 pentagonal bipyramids, and edges with four equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Sb(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Sb(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Sb(1) atom. In the fourth O site, O(3) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the CIF file [CIF]
data_La3SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.757
_cell_length_b   6.757
_cell_length_c   7.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.464
_symmetry_Int_Tables_number   1
_cell_volume   329.374
_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
  La  La0  1  1.000  0.500  0.500  1.0
  La  La1  1  1.000  0.500  1.000  1.0
  La  La2  1  0.476  0.431  0.250  1.0
  La  La3  1  0.524  0.569  0.750  1.0
  La  La4  1  0.931  0.976  0.250  1.0
  La  La5  1  0.069  0.024  0.750  1.0
  O  O6  1  0.576  0.076  0.250  1.0
  O  O7  1  0.424  0.924  0.750  1.0
  O  O8  1  0.192  0.941  0.035  1.0
  O  O9  1  0.808  0.059  0.965  1.0
  O  O10  1  0.441  0.692  0.465  1.0
  O  O11  1  0.559  0.308  0.965  1.0
  O  O12  1  0.559  0.308  0.535  1.0
  O  O13  1  0.441  0.692  0.035  1.0
  O  O14  1  0.808  0.059  0.535  1.0
  O  O15  1  0.192  0.941  0.465  1.0
  O  O16  1  0.846  0.607  0.250  1.0
  O  O17  1  0.154  0.393  0.750  1.0
  O  O18  1  0.107  0.346  0.250  1.0
  O  O19  1  0.893  0.654  0.750  1.0
  Sb  Sb20  1  0.500  1.000  1.000  1.0
  Sb  Sb21  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by La3SbO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second La site, La(2) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent La(2)O7 pentagonal bipyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-38°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent La(2)O7 pentagonal bipyramids, and edges with four equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Sb(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Sb(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Sb(1) atom. In the fourth O site, O(3) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the CIF file [CIF]
data_La3SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.757
_cell_length_b   6.757
_cell_length_c   7.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.464
_symmetry_Int_Tables_number   1
_cell_volume   329.374
_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
  La  La0  1  1.000  0.500  0.500  1.0
  La  La1  1  1.000  0.500  1.000  1.0
  La  La2  1  0.476  0.431  0.250  1.0
  La  La3  1  0.524  0.569  0.750  1.0
  La  La4  1  0.931  0.976  0.250  1.0
  La  La5  1  0.069  0.024  0.750  1.0
  O  O6  1  0.576  0.076  0.250  1.0
  O  O7  1  0.424  0.924  0.750  1.0
  O  O8  1  0.192  0.941  0.035  1.0
  O  O9  1  0.808  0.059  0.965  1.0
  O  O10  1  0.441  0.692  0.465  1.0
  O  O11  1  0.559  0.308  0.965  1.0
  O  O12  1  0.559  0.308  0.535  1.0
  O  O13  1  0.441  0.692  0.035  1.0
  O  O14  1  0.808  0.059  0.535  1.0
  O  O15  1  0.192  0.941  0.465  1.0
  O  O16  1  0.846  0.607  0.250  1.0
  O  O17  1  0.154  0.393  0.750  1.0
  O  O18  1  0.107  0.346  0.250  1.0
  O  O19  1  0.893  0.654  0.750  1.0
  Sb  Sb20  1  0.500  1.000  1.000  1.0
  Sb  Sb21  1  0.500  0.000  0.500  1.0
[/CIF]
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