The compound described by La3Re2O9 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(5), one O(6), one O(7), two equivalent O(3), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a distorted body-centered cubic geometry to one O(4), one O(5), one O(6), one O(7), two equivalent O(2), and two equivalent O(9) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted square co-planar geometry to one O(2), one O(4), one O(7), and one O(9) atom. In the second Re site, Re(2) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form edge-sharing ReO6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), and two equivalent Re(2) atoms. In the second O site, O(2) is bonded to one La(2), two equivalent La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and one Re(2) atom. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Re(2) atom to form a mixture of edge and corner-sharing OLa3Re tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the seventh O site, O(7) is bonded to one La(1), one La(2), one La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Re(2) atom. In the ninth O site, O(9) is bonded to one La(2), two equivalent La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. is represented by the CIF file [CIF]
data_La3Re2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   6.877
_cell_length_c   11.165
_cell_angle_alpha   77.563
_cell_angle_beta   75.616
_cell_angle_gamma   69.142
_symmetry_Int_Tables_number   1
_cell_volume   390.641
_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
  La  La0  1  0.718  0.906  0.619  1.0
  La  La1  1  0.282  0.094  0.381  1.0
  La  La2  1  0.004  0.722  0.269  1.0
  La  La3  1  0.996  0.278  0.731  1.0
  La  La4  1  0.225  0.663  0.883  1.0
  La  La5  1  0.775  0.337  0.117  1.0
  Re  Re6  1  0.490  0.111  0.909  1.0
  Re  Re7  1  0.510  0.889  0.091  1.0
  Re  Re8  1  0.357  0.622  0.571  1.0
  Re  Re9  1  0.643  0.378  0.429  1.0
  O  O10  1  0.373  0.320  0.578  1.0
  O  O11  1  0.627  0.680  0.422  1.0
  O  O12  1  0.854  0.688  0.065  1.0
  O  O13  1  0.146  0.312  0.935  1.0
  O  O14  1  0.303  0.917  0.590  1.0
  O  O15  1  0.697  0.083  0.410  1.0
  O  O16  1  0.641  0.021  0.184  1.0
  O  O17  1  0.359  0.979  0.816  1.0
  O  O18  1  0.066  0.615  0.711  1.0
  O  O19  1  0.934  0.385  0.289  1.0
  O  O20  1  0.415  0.439  0.314  1.0
  O  O21  1  0.585  0.561  0.686  1.0
  O  O22  1  0.821  0.991  0.811  1.0
  O  O23  1  0.179  0.009  0.189  1.0
  O  O24  1  0.115  0.751  0.461  1.0
  O  O25  1  0.885  0.249  0.539  1.0
  O  O26  1  0.612  0.329  0.927  1.0
  O  O27  1  0.388  0.671  0.073  1.0
[/CIF]
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The compound described by La3Re2O9 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(5), one O(6), one O(7), two equivalent O(3), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a distorted body-centered cubic geometry to one O(4), one O(5), one O(6), one O(7), two equivalent O(2), and two equivalent O(9) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted square co-planar geometry to one O(2), one O(4), one O(7), and one O(9) atom. In the second Re site, Re(2) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form edge-sharing ReO6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), and two equivalent Re(2) atoms. In the second O site, O(2) is bonded to one La(2), two equivalent La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and one Re(2) atom. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Re(2) atom to form a mixture of edge and corner-sharing OLa3Re tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the seventh O site, O(7) is bonded to one La(1), one La(2), one La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Re(2) atom. In the ninth O site, O(9) is bonded to one La(2), two equivalent La(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OLa3Re tetrahedra. is represented by the CIF file [CIF]
data_La3Re2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   6.877
_cell_length_c   11.165
_cell_angle_alpha   77.563
_cell_angle_beta   75.616
_cell_angle_gamma   69.142
_symmetry_Int_Tables_number   1
_cell_volume   390.641
_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
  La  La0  1  0.718  0.906  0.619  1.0
  La  La1  1  0.282  0.094  0.381  1.0
  La  La2  1  0.004  0.722  0.269  1.0
  La  La3  1  0.996  0.278  0.731  1.0
  La  La4  1  0.225  0.663  0.883  1.0
  La  La5  1  0.775  0.337  0.117  1.0
  Re  Re6  1  0.490  0.111  0.909  1.0
  Re  Re7  1  0.510  0.889  0.091  1.0
  Re  Re8  1  0.357  0.622  0.571  1.0
  Re  Re9  1  0.643  0.378  0.429  1.0
  O  O10  1  0.373  0.320  0.578  1.0
  O  O11  1  0.627  0.680  0.422  1.0
  O  O12  1  0.854  0.688  0.065  1.0
  O  O13  1  0.146  0.312  0.935  1.0
  O  O14  1  0.303  0.917  0.590  1.0
  O  O15  1  0.697  0.083  0.410  1.0
  O  O16  1  0.641  0.021  0.184  1.0
  O  O17  1  0.359  0.979  0.816  1.0
  O  O18  1  0.066  0.615  0.711  1.0
  O  O19  1  0.934  0.385  0.289  1.0
  O  O20  1  0.415  0.439  0.314  1.0
  O  O21  1  0.585  0.561  0.686  1.0
  O  O22  1  0.821  0.991  0.811  1.0
  O  O23  1  0.179  0.009  0.189  1.0
  O  O24  1  0.115  0.751  0.461  1.0
  O  O25  1  0.885  0.249  0.539  1.0
  O  O26  1  0.612  0.329  0.927  1.0
  O  O27  1  0.388  0.671  0.073  1.0
[/CIF]
.