The material described by La4Se3O4 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one O(1), one O(2), and two equivalent O(3) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent Se(1), two equivalent O(1), and two equivalent O(3) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to two equivalent Se(2), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Se(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent La(3) and four equivalent La(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), and two equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4Se3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.107
_cell_length_b   6.926
_cell_length_c   8.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.246
_symmetry_Int_Tables_number   1
_cell_volume   232.010
_cell_formula_units_Z   1
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  0.685  0.370  0.763  1.0
  La  La1  1  0.685  0.370  0.237  1.0
  La  La2  1  0.017  0.035  0.500  1.0
  La  La3  1  0.001  0.002  0.000  1.0
  Se  Se4  1  0.357  0.714  0.353  1.0
  Se  Se5  1  0.357  0.714  0.647  1.0
  Se  Se6  1  0.313  0.627  0.000  1.0
  O  O7  1  0.615  0.230  0.500  1.0
  O  O8  1  0.588  0.175  0.000  1.0
  O  O9  1  0.090  0.180  0.756  1.0
  O  O10  1  0.090  0.180  0.244  1.0
[/CIF]
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The material described by La4Se3O4 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one O(1), one O(2), and two equivalent O(3) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent Se(1), two equivalent O(1), and two equivalent O(3) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to two equivalent Se(2), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Se(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent La(3) and four equivalent La(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), and two equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4Se3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.107
_cell_length_b   6.926
_cell_length_c   8.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.246
_symmetry_Int_Tables_number   1
_cell_volume   232.010
_cell_formula_units_Z   1
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  0.685  0.370  0.763  1.0
  La  La1  1  0.685  0.370  0.237  1.0
  La  La2  1  0.017  0.035  0.500  1.0
  La  La3  1  0.001  0.002  0.000  1.0
  Se  Se4  1  0.357  0.714  0.353  1.0
  Se  Se5  1  0.357  0.714  0.647  1.0
  Se  Se6  1  0.313  0.627  0.000  1.0
  O  O7  1  0.615  0.230  0.500  1.0
  O  O8  1  0.588  0.175  0.000  1.0
  O  O9  1  0.090  0.180  0.756  1.0
  O  O10  1  0.090  0.180  0.244  1.0
[/CIF]
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