The crystal structure described by Tb3ReO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Tb site, Tb(2) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Tb(2)O7 pentagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Tb(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. Re(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Tb(2)O7 pentagonal bipyramids, and edges with four equivalent Tb(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 22°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Tb(2) atoms to form OTb4 tetrahedra that share corners with six equivalent O(1)Tb4 tetrahedra, corners with eight equivalent O(2)Tb3Re tetrahedra,  an edgeedge with one O(1)Tb4 tetrahedra, and edges with four equivalent O(2)Tb3Re tetrahedra. In the second O site, O(2) is bonded to one Tb(1), two equivalent Tb(2), and one Re(1) atom to form distorted OTb3Re tetrahedra that share corners with four equivalent O(1)Tb4 tetrahedra, corners with eight equivalent O(2)Tb3Re tetrahedra, edges with two equivalent O(2)Tb3Re tetrahedra, and edges with two equivalent O(1)Tb4 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Tb(2) and two equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_Tb3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   6.482
_cell_length_c   7.465
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.920
_symmetry_Int_Tables_number   1
_cell_volume   294.928
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.500  1.0
  Tb  Tb2  1  0.445  0.981  0.750  1.0
  Tb  Tb3  1  0.555  0.019  0.250  1.0
  Tb  Tb4  1  0.981  0.445  0.750  1.0
  Tb  Tb5  1  0.019  0.555  0.250  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.612  0.345  0.750  1.0
  O  O9  1  0.388  0.655  0.250  1.0
  O  O10  1  0.345  0.612  0.750  1.0
  O  O11  1  0.655  0.388  0.250  1.0
  O  O12  1  0.323  0.070  0.029  1.0
  O  O13  1  0.677  0.930  0.529  1.0
  O  O14  1  0.070  0.323  0.471  1.0
  O  O15  1  0.930  0.677  0.971  1.0
  O  O16  1  0.950  0.950  0.250  1.0
  O  O17  1  0.050  0.050  0.750  1.0
  O  O18  1  0.070  0.323  0.029  1.0
  O  O19  1  0.930  0.677  0.529  1.0
  O  O20  1  0.323  0.070  0.471  1.0
  O  O21  1  0.677  0.930  0.971  1.0
[/CIF]
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The crystal structure described by Tb3ReO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Tb site, Tb(2) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Tb(2)O7 pentagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Tb(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. Re(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Tb(2)O7 pentagonal bipyramids, and edges with four equivalent Tb(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 22°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Tb(2) atoms to form OTb4 tetrahedra that share corners with six equivalent O(1)Tb4 tetrahedra, corners with eight equivalent O(2)Tb3Re tetrahedra,  an edgeedge with one O(1)Tb4 tetrahedra, and edges with four equivalent O(2)Tb3Re tetrahedra. In the second O site, O(2) is bonded to one Tb(1), two equivalent Tb(2), and one Re(1) atom to form distorted OTb3Re tetrahedra that share corners with four equivalent O(1)Tb4 tetrahedra, corners with eight equivalent O(2)Tb3Re tetrahedra, edges with two equivalent O(2)Tb3Re tetrahedra, and edges with two equivalent O(1)Tb4 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Tb(2) and two equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_Tb3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   6.482
_cell_length_c   7.465
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.920
_symmetry_Int_Tables_number   1
_cell_volume   294.928
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.500  1.0
  Tb  Tb2  1  0.445  0.981  0.750  1.0
  Tb  Tb3  1  0.555  0.019  0.250  1.0
  Tb  Tb4  1  0.981  0.445  0.750  1.0
  Tb  Tb5  1  0.019  0.555  0.250  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.612  0.345  0.750  1.0
  O  O9  1  0.388  0.655  0.250  1.0
  O  O10  1  0.345  0.612  0.750  1.0
  O  O11  1  0.655  0.388  0.250  1.0
  O  O12  1  0.323  0.070  0.029  1.0
  O  O13  1  0.677  0.930  0.529  1.0
  O  O14  1  0.070  0.323  0.471  1.0
  O  O15  1  0.930  0.677  0.971  1.0
  O  O16  1  0.950  0.950  0.250  1.0
  O  O17  1  0.050  0.050  0.750  1.0
  O  O18  1  0.070  0.323  0.029  1.0
  O  O19  1  0.930  0.677  0.529  1.0
  O  O20  1  0.323  0.070  0.471  1.0
  O  O21  1  0.677  0.930  0.971  1.0
[/CIF]
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