The structure described by Tb2Zr2O7 crystallizes in the tetragonal P4_2/ncm space group. Tb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Zr(1) atoms to form distorted OTb2Zr2 trigonal pyramids that share corners with two equivalent O(3)Tb4 tetrahedra, corners with four equivalent O(2)Tb2Zr2 tetrahedra, corners with eight equivalent O(1)Tb2Zr2 trigonal pyramids,  an edgeedge with one O(3)Tb4 tetrahedra, edges with two equivalent O(2)Tb2Zr2 tetrahedra, and edges with two equivalent O(1)Tb2Zr2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent Zr(1) atoms to form OTb2Zr2 tetrahedra that share corners with four equivalent O(3)Tb4 tetrahedra, corners with eight equivalent O(1)Tb2Zr2 trigonal pyramids, edges with two equivalent O(2)Tb2Zr2 tetrahedra, and edges with four equivalent O(1)Tb2Zr2 trigonal pyramids. In the third O site, O(3) is bonded to four equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with eight equivalent O(2)Tb2Zr2 tetrahedra, corners with eight equivalent O(1)Tb2Zr2 trigonal pyramids, edges with two equivalent O(3)Tb4 tetrahedra, and edges with four equivalent O(1)Tb2Zr2 trigonal pyramids. is represented by the CIF card [CIF]
data_Tb2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.487
_cell_length_b   10.487
_cell_length_c   5.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.219
_cell_formula_units_Z   4
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  0.375  0.375  0.250  1.0
  Tb  Tb1  1  0.625  0.375  0.750  1.0
  Tb  Tb2  1  0.375  0.625  0.750  1.0
  Tb  Tb3  1  0.625  0.625  0.250  1.0
  Tb  Tb4  1  0.875  0.875  0.250  1.0
  Tb  Tb5  1  0.125  0.875  0.750  1.0
  Tb  Tb6  1  0.875  0.125  0.750  1.0
  Tb  Tb7  1  0.125  0.125  0.250  1.0
  Zr  Zr8  1  0.861  0.361  0.230  1.0
  Zr  Zr9  1  0.139  0.361  0.730  1.0
  Zr  Zr10  1  0.861  0.639  0.730  1.0
  Zr  Zr11  1  0.139  0.639  0.230  1.0
  Zr  Zr12  1  0.361  0.861  0.270  1.0
  Zr  Zr13  1  0.639  0.861  0.770  1.0
  Zr  Zr14  1  0.361  0.139  0.770  1.0
  Zr  Zr15  1  0.639  0.139  0.270  1.0
  O  O16  1  0.494  0.211  0.034  1.0
  O  O17  1  0.506  0.211  0.534  1.0
  O  O18  1  0.755  0.255  0.482  1.0
  O  O19  1  0.245  0.255  0.982  1.0
  O  O20  1  0.211  0.494  0.466  1.0
  O  O21  1  0.789  0.494  0.966  1.0
  O  O22  1  0.500  0.500  0.000  1.0
  O  O23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.211  0.506  0.966  1.0
  O  O25  1  0.789  0.506  0.466  1.0
  O  O26  1  0.755  0.745  0.982  1.0
  O  O27  1  0.245  0.745  0.482  1.0
  O  O28  1  0.494  0.789  0.534  1.0
  O  O29  1  0.506  0.789  0.034  1.0
  O  O30  1  0.994  0.711  0.466  1.0
  O  O31  1  0.006  0.711  0.966  1.0
  O  O32  1  0.745  0.755  0.518  1.0
  O  O33  1  0.255  0.755  0.018  1.0
  O  O34  1  0.711  0.994  0.034  1.0
  O  O35  1  0.289  0.994  0.534  1.0
  O  O36  1  0.000  0.000  0.000  1.0
  O  O37  1  0.000  0.000  0.500  1.0
  O  O38  1  0.711  0.006  0.534  1.0
  O  O39  1  0.289  0.006  0.034  1.0
  O  O40  1  0.745  0.245  0.018  1.0
  O  O41  1  0.255  0.245  0.518  1.0
  O  O42  1  0.994  0.289  0.966  1.0
  O  O43  1  0.006  0.289  0.466  1.0
[/CIF]
.
The structure described by Tb2Zr2O7 crystallizes in the tetragonal P4_2/ncm space group. Tb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Zr(1) atoms to form distorted OTb2Zr2 trigonal pyramids that share corners with two equivalent O(3)Tb4 tetrahedra, corners with four equivalent O(2)Tb2Zr2 tetrahedra, corners with eight equivalent O(1)Tb2Zr2 trigonal pyramids,  an edgeedge with one O(3)Tb4 tetrahedra, edges with two equivalent O(2)Tb2Zr2 tetrahedra, and edges with two equivalent O(1)Tb2Zr2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent Zr(1) atoms to form OTb2Zr2 tetrahedra that share corners with four equivalent O(3)Tb4 tetrahedra, corners with eight equivalent O(1)Tb2Zr2 trigonal pyramids, edges with two equivalent O(2)Tb2Zr2 tetrahedra, and edges with four equivalent O(1)Tb2Zr2 trigonal pyramids. In the third O site, O(3) is bonded to four equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with eight equivalent O(2)Tb2Zr2 tetrahedra, corners with eight equivalent O(1)Tb2Zr2 trigonal pyramids, edges with two equivalent O(3)Tb4 tetrahedra, and edges with four equivalent O(1)Tb2Zr2 trigonal pyramids. is represented by the CIF card [CIF]
data_Tb2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.487
_cell_length_b   10.487
_cell_length_c   5.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.219
_cell_formula_units_Z   4
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  0.375  0.375  0.250  1.0
  Tb  Tb1  1  0.625  0.375  0.750  1.0
  Tb  Tb2  1  0.375  0.625  0.750  1.0
  Tb  Tb3  1  0.625  0.625  0.250  1.0
  Tb  Tb4  1  0.875  0.875  0.250  1.0
  Tb  Tb5  1  0.125  0.875  0.750  1.0
  Tb  Tb6  1  0.875  0.125  0.750  1.0
  Tb  Tb7  1  0.125  0.125  0.250  1.0
  Zr  Zr8  1  0.861  0.361  0.230  1.0
  Zr  Zr9  1  0.139  0.361  0.730  1.0
  Zr  Zr10  1  0.861  0.639  0.730  1.0
  Zr  Zr11  1  0.139  0.639  0.230  1.0
  Zr  Zr12  1  0.361  0.861  0.270  1.0
  Zr  Zr13  1  0.639  0.861  0.770  1.0
  Zr  Zr14  1  0.361  0.139  0.770  1.0
  Zr  Zr15  1  0.639  0.139  0.270  1.0
  O  O16  1  0.494  0.211  0.034  1.0
  O  O17  1  0.506  0.211  0.534  1.0
  O  O18  1  0.755  0.255  0.482  1.0
  O  O19  1  0.245  0.255  0.982  1.0
  O  O20  1  0.211  0.494  0.466  1.0
  O  O21  1  0.789  0.494  0.966  1.0
  O  O22  1  0.500  0.500  0.000  1.0
  O  O23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.211  0.506  0.966  1.0
  O  O25  1  0.789  0.506  0.466  1.0
  O  O26  1  0.755  0.745  0.982  1.0
  O  O27  1  0.245  0.745  0.482  1.0
  O  O28  1  0.494  0.789  0.534  1.0
  O  O29  1  0.506  0.789  0.034  1.0
  O  O30  1  0.994  0.711  0.466  1.0
  O  O31  1  0.006  0.711  0.966  1.0
  O  O32  1  0.745  0.755  0.518  1.0
  O  O33  1  0.255  0.755  0.018  1.0
  O  O34  1  0.711  0.994  0.034  1.0
  O  O35  1  0.289  0.994  0.534  1.0
  O  O36  1  0.000  0.000  0.000  1.0
  O  O37  1  0.000  0.000  0.500  1.0
  O  O38  1  0.711  0.006  0.534  1.0
  O  O39  1  0.289  0.006  0.034  1.0
  O  O40  1  0.745  0.245  0.018  1.0
  O  O41  1  0.255  0.245  0.518  1.0
  O  O42  1  0.994  0.289  0.966  1.0
  O  O43  1  0.006  0.289  0.466  1.0
[/CIF]
.