data_Er(ReO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(ReO2)2
_chemical_formula_sum   'Er2 Re4 O8'
_cell_volume   179.55
_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
  Er  Er0  1  0.0  0.0  0.0  1.0
  Er  Er1  1  0.24  0.24  0.24  1.0
  Re  Re10  1  0.36  0.36  0.6  1.0
  Re  Re11  1  0.36  0.6  0.36  1.0
  Re  Re12  1  0.6  0.6  0.6  1.0
  Re  Re13  1  0.6  0.36  0.36  1.0
  O  O2  1  0.47  0.47  0.47  1.0
  O  O3  1  0.47  0.49  0.49  1.0
  O  O4  1  0.49  0.47  0.49  1.0
  O  O5  1  0.71  0.71  0.73  1.0
  O  O6  1  0.49  0.49  0.47  1.0
  O  O7  1  0.71  0.73  0.71  1.0
  O  O8  1  0.73  0.73  0.73  1.0
  O  O9  1  0.73  0.71  0.71  1.0

data_Er(ReO2)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   15.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Er(ReO2)2
_chemical_formula_sum   'Er6 Re12 O24'
_cell_volume   538.65
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Er  Er0  3  0.0  0.0  0.0  1.0
  Er  Er1  3  0.0  0.0  0.76  1.0
  Re  Re2  9  0.08  0.16  0.56  1.0
  Re  Re3  3  0.0  0.0  0.4  1.0
  O  O4  9  0.01  0.01  0.29  1.0
  O  O5  9  0.01  0.01  0.52  1.0
  O  O6  3  0.0  0.0  0.27  1.0
  O  O7  3  0.0  0.0  0.53  1.0

Er Er Re Re Re Re O O O O O O O O
Er(ReO2)2 crystallizes in the trigonal R3m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. All Er(1)-Re(1) bond lengths are 3.22 Å. In the second Er site, Er(2) is bonded in a 9-coordinate geometry to three equivalent Re(2) and six equivalent Re(1) atoms. All Er(2)-Re(2) bond lengths are 3.68 Å. There are three shorter (3.21 Å) and three longer (3.48 Å) Er(2)-Re(1) bond lengths. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Er(1), two equivalent Er(2), and one O(1) atom. The Re(1)-O(1) bond length is 0.99 Å. In the second Re site, Re(2) is bonded in a distorted hexagonal planar geometry to three equivalent Er(2), three equivalent O(2), and three equivalent O(3) atoms. All Re(2)-O(2) bond lengths are 1.80 Å. All Re(2)-O(3) bond lengths are 1.80 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent O(2) atoms. All O(1)-O(2) bond lengths are 0.21 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(2), one O(1), and two equivalent O(2) atoms. Both O(2)-O(2) bond lengths are 0.12 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Re(2), one O(4), and two equivalent O(3) atoms. The O(3)-O(4) bond length is 0.21 Å. Both O(3)-O(3) bond lengths are 0.12 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms.