The crystal structure described by Li2ReO3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3c space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Re(1)O6 octahedra, corners with nine equivalent Li(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Re(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. Re(1) is bonded to six equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent Re(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. O(1) is bonded to four equivalent Li(1) and two equivalent Re(1) atoms to form a mixture of distorted corner and edge-sharing OLi4Re2 pentagonal pyramids. is represented by the CIF card [CIF]
data_Li2ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   5.779
_cell_length_c   5.779
_cell_angle_alpha   51.180
_cell_angle_beta   51.180
_cell_angle_gamma   51.180
_symmetry_Int_Tables_number   1
_cell_volume   108.112
_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
  Li  Li0  1  0.174  0.174  0.174  1.0
  Li  Li1  1  0.326  0.326  0.326  1.0
  Li  Li2  1  0.826  0.826  0.826  1.0
  Li  Li3  1  0.674  0.674  0.674  1.0
  Re  Re4  1  0.500  0.500  0.500  1.0
  Re  Re5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.607  0.893  0.250  1.0
  O  O7  1  0.893  0.250  0.607  1.0
  O  O8  1  0.107  0.750  0.393  1.0
  O  O9  1  0.750  0.393  0.107  1.0
  O  O10  1  0.393  0.107  0.750  1.0
  O  O11  1  0.250  0.607  0.893  1.0
[/CIF]
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The crystal structure described by Li2ReO3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3c space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Re(1)O6 octahedra, corners with nine equivalent Li(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Re(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. Re(1) is bonded to six equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent Re(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. O(1) is bonded to four equivalent Li(1) and two equivalent Re(1) atoms to form a mixture of distorted corner and edge-sharing OLi4Re2 pentagonal pyramids. is represented by the CIF card [CIF]
data_Li2ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   5.779
_cell_length_c   5.779
_cell_angle_alpha   51.180
_cell_angle_beta   51.180
_cell_angle_gamma   51.180
_symmetry_Int_Tables_number   1
_cell_volume   108.112
_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
  Li  Li0  1  0.174  0.174  0.174  1.0
  Li  Li1  1  0.326  0.326  0.326  1.0
  Li  Li2  1  0.826  0.826  0.826  1.0
  Li  Li3  1  0.674  0.674  0.674  1.0
  Re  Re4  1  0.500  0.500  0.500  1.0
  Re  Re5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.607  0.893  0.250  1.0
  O  O7  1  0.893  0.250  0.607  1.0
  O  O8  1  0.107  0.750  0.393  1.0
  O  O9  1  0.750  0.393  0.107  1.0
  O  O10  1  0.393  0.107  0.750  1.0
  O  O11  1  0.250  0.607  0.893  1.0
[/CIF]
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