The structure described by FeRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(ReO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   4.802
_cell_length_c   8.509
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   89.899
_symmetry_Int_Tables_number   1
_cell_volume   196.191
_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
  Fe  Fe0  1  1.000  0.000  0.667  1.0
  Fe  Fe1  1  0.500  0.500  0.167  1.0
  Re  Re2  1  0.500  0.500  0.516  1.0
  Re  Re3  1  0.500  0.500  0.818  1.0
  Re  Re4  1  0.000  0.000  0.015  1.0
  Re  Re5  1  0.000  1.000  0.319  1.0
  O  O6  1  0.220  0.780  0.167  1.0
  O  O7  1  0.781  0.219  0.167  1.0
  O  O8  1  0.279  0.279  0.667  1.0
  O  O9  1  0.720  0.720  0.667  1.0
  O  O10  1  0.207  0.793  0.493  1.0
  O  O11  1  0.207  0.793  0.840  1.0
  O  O12  1  0.793  0.207  0.493  1.0
  O  O13  1  0.793  0.207  0.841  1.0
  O  O14  1  0.293  0.293  0.340  1.0
  O  O15  1  0.293  0.293  0.993  1.0
  O  O16  1  0.707  0.707  0.341  1.0
  O  O17  1  0.707  0.707  0.993  1.0
[/CIF]
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The structure described by FeRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(ReO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   4.802
_cell_length_c   8.509
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   89.899
_symmetry_Int_Tables_number   1
_cell_volume   196.191
_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
  Fe  Fe0  1  1.000  0.000  0.667  1.0
  Fe  Fe1  1  0.500  0.500  0.167  1.0
  Re  Re2  1  0.500  0.500  0.516  1.0
  Re  Re3  1  0.500  0.500  0.818  1.0
  Re  Re4  1  0.000  0.000  0.015  1.0
  Re  Re5  1  0.000  1.000  0.319  1.0
  O  O6  1  0.220  0.780  0.167  1.0
  O  O7  1  0.781  0.219  0.167  1.0
  O  O8  1  0.279  0.279  0.667  1.0
  O  O9  1  0.720  0.720  0.667  1.0
  O  O10  1  0.207  0.793  0.493  1.0
  O  O11  1  0.207  0.793  0.840  1.0
  O  O12  1  0.793  0.207  0.493  1.0
  O  O13  1  0.793  0.207  0.841  1.0
  O  O14  1  0.293  0.293  0.340  1.0
  O  O15  1  0.293  0.293  0.993  1.0
  O  O16  1  0.707  0.707  0.341  1.0
  O  O17  1  0.707  0.707  0.993  1.0
[/CIF]
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