The material structure described by Er5(ReO6)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to one O(3), two equivalent O(2), and four equivalent O(4) atoms to form distorted ErO7 pentagonal bipyramids that share corners with two equivalent Er(3)O6 octahedra,  an edgeedge with one Er(3)O6 octahedra, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Er(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(4), and four equivalent O(2) atoms. In the third Er site, Er(3) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form ErO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Er(1)O7 pentagonal bipyramids, and edges with two equivalent Er(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. Re(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ReO6 octahedra that share corners with two equivalent Er(3)O6 octahedra, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Er(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Er(3) and two equivalent Re(1) atoms. In the second O site, O(2) is bonded to one Er(1), two equivalent Er(2), and one Re(1) atom to form distorted OEr3Re tetrahedra that share corners with four equivalent O(2)Er3Re tetrahedra, corners with six equivalent O(4)Er4 tetrahedra,  a cornercorner with one O(3)Er2Re2 trigonal pyramid,  an edgeedge with one O(4)Er4 tetrahedra, edges with two equivalent O(2)Er3Re tetrahedra, and edges with two equivalent O(3)Er2Re2 trigonal pyramids. In the third O site, O(3) is bonded to one Er(1), one Er(2), and two equivalent Re(1) atoms to form distorted OEr2Re2 trigonal pyramids that share corners with two equivalent O(2)Er3Re tetrahedra, corners with six equivalent O(4)Er4 tetrahedra, edges with four equivalent O(2)Er3Re tetrahedra, and  an edgeedge with one O(3)Er2Re2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Er(2), one Er(3), and two equivalent Er(1) atoms to form OEr4 tetrahedra that share corners with four equivalent O(4)Er4 tetrahedra, corners with six equivalent O(2)Er3Re tetrahedra, corners with three equivalent O(3)Er2Re2 trigonal pyramids,  an edgeedge with one O(2)Er3Re tetrahedra, and edges with three equivalent O(4)Er4 tetrahedra. is represented by the CIF card [CIF]
data_Er5(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.734
_cell_length_b   6.734
_cell_length_c   7.427
_cell_angle_alpha   73.712
_cell_angle_beta   73.712
_cell_angle_gamma   49.088
_symmetry_Int_Tables_number   1
_cell_volume   242.113
_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
  Er  Er0  1  0.697  0.697  0.641  1.0
  Er  Er1  1  0.303  0.303  0.359  1.0
  Er  Er2  1  0.686  0.686  0.177  1.0
  Er  Er3  1  0.314  0.314  0.823  1.0
  Er  Er4  1  1.000  0.000  0.500  1.0
  Re  Re5  1  0.786  0.214  0.000  1.0
  Re  Re6  1  0.214  0.786  0.000  1.0
  O  O7  1  0.002  0.002  0.208  1.0
  O  O8  1  0.998  0.998  0.792  1.0
  O  O9  1  0.579  0.088  0.086  1.0
  O  O10  1  0.421  0.912  0.914  1.0
  O  O11  1  0.912  0.421  0.914  1.0
  O  O12  1  0.088  0.579  0.086  1.0
  O  O13  1  0.499  0.499  0.180  1.0
  O  O14  1  0.501  0.501  0.820  1.0
  O  O15  1  0.406  0.902  0.427  1.0
  O  O16  1  0.594  0.098  0.573  1.0
  O  O17  1  0.098  0.594  0.573  1.0
  O  O18  1  0.902  0.406  0.427  1.0
[/CIF]
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The material structure described by Er5(ReO6)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to one O(3), two equivalent O(2), and four equivalent O(4) atoms to form distorted ErO7 pentagonal bipyramids that share corners with two equivalent Er(3)O6 octahedra,  an edgeedge with one Er(3)O6 octahedra, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Er(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(4), and four equivalent O(2) atoms. In the third Er site, Er(3) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form ErO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Er(1)O7 pentagonal bipyramids, and edges with two equivalent Er(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. Re(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ReO6 octahedra that share corners with two equivalent Er(3)O6 octahedra, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Er(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Er(3) and two equivalent Re(1) atoms. In the second O site, O(2) is bonded to one Er(1), two equivalent Er(2), and one Re(1) atom to form distorted OEr3Re tetrahedra that share corners with four equivalent O(2)Er3Re tetrahedra, corners with six equivalent O(4)Er4 tetrahedra,  a cornercorner with one O(3)Er2Re2 trigonal pyramid,  an edgeedge with one O(4)Er4 tetrahedra, edges with two equivalent O(2)Er3Re tetrahedra, and edges with two equivalent O(3)Er2Re2 trigonal pyramids. In the third O site, O(3) is bonded to one Er(1), one Er(2), and two equivalent Re(1) atoms to form distorted OEr2Re2 trigonal pyramids that share corners with two equivalent O(2)Er3Re tetrahedra, corners with six equivalent O(4)Er4 tetrahedra, edges with four equivalent O(2)Er3Re tetrahedra, and  an edgeedge with one O(3)Er2Re2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Er(2), one Er(3), and two equivalent Er(1) atoms to form OEr4 tetrahedra that share corners with four equivalent O(4)Er4 tetrahedra, corners with six equivalent O(2)Er3Re tetrahedra, corners with three equivalent O(3)Er2Re2 trigonal pyramids,  an edgeedge with one O(2)Er3Re tetrahedra, and edges with three equivalent O(4)Er4 tetrahedra. is represented by the CIF card [CIF]
data_Er5(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.734
_cell_length_b   6.734
_cell_length_c   7.427
_cell_angle_alpha   73.712
_cell_angle_beta   73.712
_cell_angle_gamma   49.088
_symmetry_Int_Tables_number   1
_cell_volume   242.113
_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
  Er  Er0  1  0.697  0.697  0.641  1.0
  Er  Er1  1  0.303  0.303  0.359  1.0
  Er  Er2  1  0.686  0.686  0.177  1.0
  Er  Er3  1  0.314  0.314  0.823  1.0
  Er  Er4  1  1.000  0.000  0.500  1.0
  Re  Re5  1  0.786  0.214  0.000  1.0
  Re  Re6  1  0.214  0.786  0.000  1.0
  O  O7  1  0.002  0.002  0.208  1.0
  O  O8  1  0.998  0.998  0.792  1.0
  O  O9  1  0.579  0.088  0.086  1.0
  O  O10  1  0.421  0.912  0.914  1.0
  O  O11  1  0.912  0.421  0.914  1.0
  O  O12  1  0.088  0.579  0.086  1.0
  O  O13  1  0.499  0.499  0.180  1.0
  O  O14  1  0.501  0.501  0.820  1.0
  O  O15  1  0.406  0.902  0.427  1.0
  O  O16  1  0.594  0.098  0.573  1.0
  O  O17  1  0.098  0.594  0.573  1.0
  O  O18  1  0.902  0.406  0.427  1.0
[/CIF]
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