The material structure described by La3Re(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. La(1) is bonded in a 10-coordinate geometry to six equivalent O(1) and four equivalent Cl(1) atoms. Re(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. O(1) is bonded to three equivalent La(1) and one Re(1) atom to form a mixture of corner and edge-sharing OLa3Re tetrahedra. Cl(1) is bonded in a see-saw-like geometry to four equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La3Re(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.479
_cell_length_b   9.479
_cell_length_c   5.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   424.931
_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  0.595  0.686  0.750  1.0
  La  La1  1  0.405  0.314  0.250  1.0
  La  La2  1  0.091  0.405  0.750  1.0
  La  La3  1  0.909  0.595  0.250  1.0
  La  La4  1  0.314  0.909  0.750  1.0
  La  La5  1  0.686  0.091  0.250  1.0
  Re  Re6  1  0.667  0.333  0.750  1.0
  Re  Re7  1  0.333  0.667  0.250  1.0
  Cl  Cl8  1  0.807  0.048  0.750  1.0
  Cl  Cl9  1  0.193  0.952  0.250  1.0
  Cl  Cl10  1  0.241  0.193  0.750  1.0
  Cl  Cl11  1  0.759  0.807  0.250  1.0
  Cl  Cl12  1  0.952  0.759  0.750  1.0
  Cl  Cl13  1  0.048  0.241  0.250  1.0
  O  O14  1  0.837  0.364  0.979  1.0
  O  O15  1  0.163  0.636  0.021  1.0
  O  O16  1  0.526  0.163  0.979  1.0
  O  O17  1  0.163  0.636  0.479  1.0
  O  O18  1  0.474  0.837  0.021  1.0
  O  O19  1  0.837  0.364  0.521  1.0
  O  O20  1  0.636  0.474  0.979  1.0
  O  O21  1  0.474  0.837  0.479  1.0
  O  O22  1  0.364  0.526  0.021  1.0
  O  O23  1  0.526  0.163  0.521  1.0
  O  O24  1  0.364  0.526  0.479  1.0
  O  O25  1  0.636  0.474  0.521  1.0
[/CIF]
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The material structure described by La3Re(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. La(1) is bonded in a 10-coordinate geometry to six equivalent O(1) and four equivalent Cl(1) atoms. Re(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. O(1) is bonded to three equivalent La(1) and one Re(1) atom to form a mixture of corner and edge-sharing OLa3Re tetrahedra. Cl(1) is bonded in a see-saw-like geometry to four equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La3Re(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.479
_cell_length_b   9.479
_cell_length_c   5.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   424.931
_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  0.595  0.686  0.750  1.0
  La  La1  1  0.405  0.314  0.250  1.0
  La  La2  1  0.091  0.405  0.750  1.0
  La  La3  1  0.909  0.595  0.250  1.0
  La  La4  1  0.314  0.909  0.750  1.0
  La  La5  1  0.686  0.091  0.250  1.0
  Re  Re6  1  0.667  0.333  0.750  1.0
  Re  Re7  1  0.333  0.667  0.250  1.0
  Cl  Cl8  1  0.807  0.048  0.750  1.0
  Cl  Cl9  1  0.193  0.952  0.250  1.0
  Cl  Cl10  1  0.241  0.193  0.750  1.0
  Cl  Cl11  1  0.759  0.807  0.250  1.0
  Cl  Cl12  1  0.952  0.759  0.750  1.0
  Cl  Cl13  1  0.048  0.241  0.250  1.0
  O  O14  1  0.837  0.364  0.979  1.0
  O  O15  1  0.163  0.636  0.021  1.0
  O  O16  1  0.526  0.163  0.979  1.0
  O  O17  1  0.163  0.636  0.479  1.0
  O  O18  1  0.474  0.837  0.021  1.0
  O  O19  1  0.837  0.364  0.521  1.0
  O  O20  1  0.636  0.474  0.979  1.0
  O  O21  1  0.474  0.837  0.479  1.0
  O  O22  1  0.364  0.526  0.021  1.0
  O  O23  1  0.526  0.163  0.521  1.0
  O  O24  1  0.364  0.526  0.479  1.0
  O  O25  1  0.636  0.474  0.521  1.0
[/CIF]
.