The crystal structure described by Cs3LaO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form edge-sharing LaO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent La(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one La(1) atom. is represented by the CIF card [CIF]
data_Cs3LaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.801
_cell_length_b   7.801
_cell_length_c   7.834
_cell_angle_alpha   85.281
_cell_angle_beta   85.281
_cell_angle_gamma   116.456
_symmetry_Int_Tables_number   1
_cell_volume   421.561
_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
  Cs  Cs0  1  0.646  0.646  0.649  1.0
  Cs  Cs1  1  0.788  0.212  0.500  1.0
  Cs  Cs2  1  0.212  0.788  0.500  1.0
  Cs  Cs3  1  0.742  0.258  0.000  1.0
  Cs  Cs4  1  0.258  0.742  0.000  1.0
  Cs  Cs5  1  0.354  0.354  0.351  1.0
  La  La6  1  0.819  0.819  0.154  1.0
  La  La7  1  0.181  0.181  0.846  1.0
  O  O8  1  0.898  0.898  0.853  1.0
  O  O9  1  0.547  0.826  0.269  1.0
  O  O10  1  0.826  0.547  0.269  1.0
  O  O11  1  0.453  0.174  0.731  1.0
  O  O12  1  0.174  0.453  0.731  1.0
  O  O13  1  0.102  0.102  0.147  1.0
[/CIF]
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The crystal structure described by Cs3LaO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form edge-sharing LaO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent La(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one La(1) atom. is represented by the CIF card [CIF]
data_Cs3LaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.801
_cell_length_b   7.801
_cell_length_c   7.834
_cell_angle_alpha   85.281
_cell_angle_beta   85.281
_cell_angle_gamma   116.456
_symmetry_Int_Tables_number   1
_cell_volume   421.561
_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
  Cs  Cs0  1  0.646  0.646  0.649  1.0
  Cs  Cs1  1  0.788  0.212  0.500  1.0
  Cs  Cs2  1  0.212  0.788  0.500  1.0
  Cs  Cs3  1  0.742  0.258  0.000  1.0
  Cs  Cs4  1  0.258  0.742  0.000  1.0
  Cs  Cs5  1  0.354  0.354  0.351  1.0
  La  La6  1  0.819  0.819  0.154  1.0
  La  La7  1  0.181  0.181  0.846  1.0
  O  O8  1  0.898  0.898  0.853  1.0
  O  O9  1  0.547  0.826  0.269  1.0
  O  O10  1  0.826  0.547  0.269  1.0
  O  O11  1  0.453  0.174  0.731  1.0
  O  O12  1  0.174  0.453  0.731  1.0
  O  O13  1  0.102  0.102  0.147  1.0
[/CIF]
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