The crystal structure described by La8Te3SeO8 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent Te(1) and four equivalent O(2) atoms. In the third La site, La(3) is bonded in a 4-coordinate geometry to four equivalent Te(2) and four equivalent O(2) atoms. In the fourth La site, La(4) is bonded in a 4-coordinate geometry to four equivalent Te(1) and four equivalent O(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a body-centered cubic geometry to four equivalent La(2) and four equivalent La(4) atoms. In the second Te site, Te(2) is bonded in a body-centered cubic geometry to eight equivalent La(3) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(4) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(2) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La8Te3SeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.112
_cell_length_b   4.112
_cell_length_c   26.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.403
_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  0.500  0.500  0.078  1.0
  La  La1  1  0.000  0.000  0.329  1.0
  La  La2  1  0.500  0.500  0.579  1.0
  La  La3  1  0.000  0.000  0.829  1.0
  La  La4  1  0.000  0.000  0.171  1.0
  La  La5  1  0.500  0.500  0.421  1.0
  La  La6  1  0.000  0.000  0.671  1.0
  La  La7  1  0.500  0.500  0.922  1.0
  Te  Te8  1  0.500  0.500  0.250  1.0
  Te  Te9  1  0.000  0.000  0.500  1.0
  Te  Te10  1  0.500  0.500  0.750  1.0
  Se  Se11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.500  0.000  0.124  1.0
  O  O13  1  0.000  0.500  0.375  1.0
  O  O14  1  0.500  0.000  0.625  1.0
  O  O15  1  0.000  0.500  0.876  1.0
  O  O16  1  0.000  0.500  0.124  1.0
  O  O17  1  0.500  0.000  0.375  1.0
  O  O18  1  0.000  0.500  0.625  1.0
  O  O19  1  0.500  0.000  0.876  1.0
[/CIF]
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The crystal structure described by La8Te3SeO8 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent Te(1) and four equivalent O(2) atoms. In the third La site, La(3) is bonded in a 4-coordinate geometry to four equivalent Te(2) and four equivalent O(2) atoms. In the fourth La site, La(4) is bonded in a 4-coordinate geometry to four equivalent Te(1) and four equivalent O(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a body-centered cubic geometry to four equivalent La(2) and four equivalent La(4) atoms. In the second Te site, Te(2) is bonded in a body-centered cubic geometry to eight equivalent La(3) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(4) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(2) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La8Te3SeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.112
_cell_length_b   4.112
_cell_length_c   26.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.403
_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  0.500  0.500  0.078  1.0
  La  La1  1  0.000  0.000  0.329  1.0
  La  La2  1  0.500  0.500  0.579  1.0
  La  La3  1  0.000  0.000  0.829  1.0
  La  La4  1  0.000  0.000  0.171  1.0
  La  La5  1  0.500  0.500  0.421  1.0
  La  La6  1  0.000  0.000  0.671  1.0
  La  La7  1  0.500  0.500  0.922  1.0
  Te  Te8  1  0.500  0.500  0.250  1.0
  Te  Te9  1  0.000  0.000  0.500  1.0
  Te  Te10  1  0.500  0.500  0.750  1.0
  Se  Se11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.500  0.000  0.124  1.0
  O  O13  1  0.000  0.500  0.375  1.0
  O  O14  1  0.500  0.000  0.625  1.0
  O  O15  1  0.000  0.500  0.876  1.0
  O  O16  1  0.000  0.500  0.124  1.0
  O  O17  1  0.500  0.000  0.375  1.0
  O  O18  1  0.000  0.500  0.625  1.0
  O  O19  1  0.500  0.000  0.876  1.0
[/CIF]
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