The material structure described by LaBO3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   5.848
_cell_length_c   8.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.048
_cell_formula_units_Z   4
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  0.250  0.757  0.915  1.0
  La  La1  1  0.750  0.243  0.085  1.0
  La  La2  1  0.250  0.257  0.585  1.0
  La  La3  1  0.750  0.743  0.415  1.0
  B  B4  1  0.250  0.918  0.261  1.0
  B  B5  1  0.750  0.082  0.739  1.0
  B  B6  1  0.250  0.418  0.239  1.0
  B  B7  1  0.750  0.582  0.761  1.0
  O  O8  1  0.750  0.596  0.927  1.0
  O  O9  1  0.250  0.404  0.073  1.0
  O  O10  1  0.750  0.096  0.573  1.0
  O  O11  1  0.250  0.904  0.427  1.0
  O  O12  1  0.518  0.586  0.677  1.0
  O  O13  1  0.018  0.414  0.323  1.0
  O  O14  1  0.982  0.086  0.823  1.0
  O  O15  1  0.482  0.914  0.177  1.0
  O  O16  1  0.482  0.414  0.323  1.0
  O  O17  1  0.982  0.586  0.677  1.0
  O  O18  1  0.018  0.914  0.177  1.0
  O  O19  1  0.518  0.086  0.823  1.0
[/CIF]
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The material structure described by LaBO3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   5.848
_cell_length_c   8.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.048
_cell_formula_units_Z   4
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  0.250  0.757  0.915  1.0
  La  La1  1  0.750  0.243  0.085  1.0
  La  La2  1  0.250  0.257  0.585  1.0
  La  La3  1  0.750  0.743  0.415  1.0
  B  B4  1  0.250  0.918  0.261  1.0
  B  B5  1  0.750  0.082  0.739  1.0
  B  B6  1  0.250  0.418  0.239  1.0
  B  B7  1  0.750  0.582  0.761  1.0
  O  O8  1  0.750  0.596  0.927  1.0
  O  O9  1  0.250  0.404  0.073  1.0
  O  O10  1  0.750  0.096  0.573  1.0
  O  O11  1  0.250  0.904  0.427  1.0
  O  O12  1  0.518  0.586  0.677  1.0
  O  O13  1  0.018  0.414  0.323  1.0
  O  O14  1  0.982  0.086  0.823  1.0
  O  O15  1  0.482  0.914  0.177  1.0
  O  O16  1  0.482  0.414  0.323  1.0
  O  O17  1  0.982  0.586  0.677  1.0
  O  O18  1  0.018  0.914  0.177  1.0
  O  O19  1  0.518  0.086  0.823  1.0
[/CIF]
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