The crystal structure described by BaLaInO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pca2_1 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. La(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. In(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one La(1), and one In(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and one In(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), and two equivalent In(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_BaLaInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   5.919
_cell_length_c   13.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.065
_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
  Ba  Ba0  1  0.483  0.998  0.354  1.0
  Ba  Ba1  1  0.017  0.498  0.646  1.0
  Ba  Ba2  1  0.483  0.498  0.146  1.0
  Ba  Ba3  1  0.017  0.998  0.854  1.0
  La  La4  1  0.551  0.477  0.853  1.0
  La  La5  1  0.949  0.977  0.147  1.0
  La  La6  1  0.551  0.977  0.647  1.0
  La  La7  1  0.949  0.477  0.353  1.0
  In  In8  1  0.495  0.995  0.001  1.0
  In  In9  1  0.495  0.495  0.499  1.0
  In  In10  1  0.005  0.495  0.999  1.0
  In  In11  1  0.005  0.995  0.501  1.0
  O  O12  1  0.557  0.974  0.164  1.0
  O  O13  1  0.495  0.577  0.678  1.0
  O  O14  1  0.943  0.474  0.836  1.0
  O  O15  1  0.005  0.077  0.322  1.0
  O  O16  1  0.495  0.077  0.822  1.0
  O  O17  1  0.557  0.474  0.336  1.0
  O  O18  1  0.005  0.577  0.178  1.0
  O  O19  1  0.943  0.974  0.664  1.0
  O  O20  1  0.705  0.789  0.497  1.0
  O  O21  1  0.310  0.689  0.969  1.0
  O  O22  1  0.795  0.289  0.503  1.0
  O  O23  1  0.190  0.189  0.031  1.0
  O  O24  1  0.310  0.189  0.531  1.0
  O  O25  1  0.705  0.289  0.003  1.0
  O  O26  1  0.190  0.689  0.469  1.0
  O  O27  1  0.795  0.789  0.997  1.0
[/CIF]
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The crystal structure described by BaLaInO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pca2_1 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. La(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. In(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one La(1), and one In(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and one In(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), and two equivalent In(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_BaLaInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   5.919
_cell_length_c   13.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.065
_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
  Ba  Ba0  1  0.483  0.998  0.354  1.0
  Ba  Ba1  1  0.017  0.498  0.646  1.0
  Ba  Ba2  1  0.483  0.498  0.146  1.0
  Ba  Ba3  1  0.017  0.998  0.854  1.0
  La  La4  1  0.551  0.477  0.853  1.0
  La  La5  1  0.949  0.977  0.147  1.0
  La  La6  1  0.551  0.977  0.647  1.0
  La  La7  1  0.949  0.477  0.353  1.0
  In  In8  1  0.495  0.995  0.001  1.0
  In  In9  1  0.495  0.495  0.499  1.0
  In  In10  1  0.005  0.495  0.999  1.0
  In  In11  1  0.005  0.995  0.501  1.0
  O  O12  1  0.557  0.974  0.164  1.0
  O  O13  1  0.495  0.577  0.678  1.0
  O  O14  1  0.943  0.474  0.836  1.0
  O  O15  1  0.005  0.077  0.322  1.0
  O  O16  1  0.495  0.077  0.822  1.0
  O  O17  1  0.557  0.474  0.336  1.0
  O  O18  1  0.005  0.577  0.178  1.0
  O  O19  1  0.943  0.974  0.664  1.0
  O  O20  1  0.705  0.789  0.497  1.0
  O  O21  1  0.310  0.689  0.969  1.0
  O  O22  1  0.795  0.289  0.503  1.0
  O  O23  1  0.190  0.189  0.031  1.0
  O  O24  1  0.310  0.189  0.531  1.0
  O  O25  1  0.705  0.289  0.003  1.0
  O  O26  1  0.190  0.689  0.469  1.0
  O  O27  1  0.795  0.789  0.997  1.0
[/CIF]
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