The structure described by Bi2Zr2O7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra,  a cornercorner with one Bi(4)O6 pentagonal pyramid, and  an edgeedge with one Bi(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-39°. In the second Zr site, Zr(2) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 31-40°. In the third Zr site, Zr(3) is bonded to one O(11), one O(12), one O(14), one O(3), one O(8), and one O(9) atom to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Bi(4)O6 pentagonal pyramids, and  an edgeedge with one Bi(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-43°. In the fourth Zr site, Zr(4) is bonded to one O(10), one O(14), one O(4), one O(9), and two equivalent O(13) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(12), one O(3), one O(8), two equivalent O(1), and two equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(6), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(2), one O(6), one O(7), and one O(9) atom. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(11), one O(5), one O(8), and two equivalent O(12) atoms to form distorted BiO6 pentagonal pyramids that share  a cornercorner with one Zr(1)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra, corners with two equivalent Bi(4)O6 pentagonal pyramids,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Zr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-76°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Bi(4), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zr(1), one Zr(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(4), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(1), one Bi(4), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Zr(2), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zr(3), one Bi(1), and one Bi(4) atom. In the ninth O site, O(9) is bonded to one Zr(3), one Zr(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OZr2Bi2 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(2), one Zr(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OZr2Bi2 tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), one Bi(3), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Zr(3), one Bi(1), and two equivalent Bi(4) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Zr(4), one Bi(2), and one Bi(3) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Zr(3), one Zr(4), and one Bi(3) atom. is represented by the CIF file [CIF]
data_Zr2Bi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.717
_cell_length_b   8.097
_cell_length_c   13.978
_cell_angle_alpha   81.598
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   640.136
_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
  Zr  Zr0  1  0.262  0.926  0.317  1.0
  Zr  Zr1  1  0.764  0.972  0.114  1.0
  Zr  Zr2  1  0.766  0.589  0.677  1.0
  Zr  Zr3  1  0.263  0.529  0.882  1.0
  Zr  Zr4  1  0.763  0.471  0.118  1.0
  Zr  Zr5  1  0.266  0.411  0.323  1.0
  Zr  Zr6  1  0.264  0.028  0.886  1.0
  Zr  Zr7  1  0.762  0.074  0.683  1.0
  Bi  Bi8  1  0.297  0.864  0.559  1.0
  Bi  Bi9  1  0.769  0.769  0.914  1.0
  Bi  Bi10  1  0.238  0.713  0.130  1.0
  Bi  Bi11  1  0.732  0.633  0.402  1.0
  Bi  Bi12  1  0.232  0.367  0.598  1.0
  Bi  Bi13  1  0.738  0.287  0.870  1.0
  Bi  Bi14  1  0.269  0.231  0.086  1.0
  Bi  Bi15  1  0.797  0.136  0.441  1.0
  O  O16  1  0.546  0.923  0.414  1.0
  O  O17  1  0.442  0.994  0.179  1.0
  O  O18  1  0.681  0.826  0.692  1.0
  O  O19  1  0.365  0.777  0.886  1.0
  O  O20  1  0.056  0.859  0.437  1.0
  O  O21  1  0.056  0.938  0.020  1.0
  O  O22  1  0.979  0.873  0.224  1.0
  O  O23  1  0.090  0.626  0.616  1.0
  O  O24  1  0.933  0.577  0.823  1.0
  O  O25  1  0.659  0.728  0.084  1.0
  O  O26  1  0.386  0.673  0.306  1.0
  O  O27  1  0.576  0.586  0.549  1.0
  O  O28  1  0.554  0.449  0.980  1.0
  O  O29  1  0.481  0.484  0.773  1.0
  O  O30  1  0.981  0.516  0.227  1.0
  O  O31  1  0.054  0.551  0.020  1.0
  O  O32  1  0.076  0.414  0.451  1.0
  O  O33  1  0.886  0.327  0.694  1.0
  O  O34  1  0.159  0.272  0.916  1.0
  O  O35  1  0.433  0.423  0.177  1.0
  O  O36  1  0.590  0.374  0.384  1.0
  O  O37  1  0.479  0.127  0.776  1.0
  O  O38  1  0.556  0.062  0.980  1.0
  O  O39  1  0.556  0.141  0.563  1.0
  O  O40  1  0.865  0.223  0.114  1.0
  O  O41  1  0.181  0.174  0.308  1.0
  O  O42  1  0.942  0.006  0.821  1.0
  O  O43  1  0.046  0.077  0.586  1.0
[/CIF]
.
The structure described by Bi2Zr2O7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra,  a cornercorner with one Bi(4)O6 pentagonal pyramid, and  an edgeedge with one Bi(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-39°. In the second Zr site, Zr(2) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 31-40°. In the third Zr site, Zr(3) is bonded to one O(11), one O(12), one O(14), one O(3), one O(8), and one O(9) atom to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Bi(4)O6 pentagonal pyramids, and  an edgeedge with one Bi(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-43°. In the fourth Zr site, Zr(4) is bonded to one O(10), one O(14), one O(4), one O(9), and two equivalent O(13) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(12), one O(3), one O(8), two equivalent O(1), and two equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(6), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(2), one O(6), one O(7), and one O(9) atom. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(11), one O(5), one O(8), and two equivalent O(12) atoms to form distorted BiO6 pentagonal pyramids that share  a cornercorner with one Zr(1)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra, corners with two equivalent Bi(4)O6 pentagonal pyramids,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Zr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-76°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Bi(4), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zr(1), one Zr(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(4), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(1), one Bi(4), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Zr(2), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zr(3), one Bi(1), and one Bi(4) atom. In the ninth O site, O(9) is bonded to one Zr(3), one Zr(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OZr2Bi2 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(2), one Zr(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OZr2Bi2 tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), one Bi(3), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Zr(3), one Bi(1), and two equivalent Bi(4) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Zr(4), one Bi(2), and one Bi(3) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Zr(3), one Zr(4), and one Bi(3) atom. is represented by the CIF file [CIF]
data_Zr2Bi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.717
_cell_length_b   8.097
_cell_length_c   13.978
_cell_angle_alpha   81.598
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   640.136
_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
  Zr  Zr0  1  0.262  0.926  0.317  1.0
  Zr  Zr1  1  0.764  0.972  0.114  1.0
  Zr  Zr2  1  0.766  0.589  0.677  1.0
  Zr  Zr3  1  0.263  0.529  0.882  1.0
  Zr  Zr4  1  0.763  0.471  0.118  1.0
  Zr  Zr5  1  0.266  0.411  0.323  1.0
  Zr  Zr6  1  0.264  0.028  0.886  1.0
  Zr  Zr7  1  0.762  0.074  0.683  1.0
  Bi  Bi8  1  0.297  0.864  0.559  1.0
  Bi  Bi9  1  0.769  0.769  0.914  1.0
  Bi  Bi10  1  0.238  0.713  0.130  1.0
  Bi  Bi11  1  0.732  0.633  0.402  1.0
  Bi  Bi12  1  0.232  0.367  0.598  1.0
  Bi  Bi13  1  0.738  0.287  0.870  1.0
  Bi  Bi14  1  0.269  0.231  0.086  1.0
  Bi  Bi15  1  0.797  0.136  0.441  1.0
  O  O16  1  0.546  0.923  0.414  1.0
  O  O17  1  0.442  0.994  0.179  1.0
  O  O18  1  0.681  0.826  0.692  1.0
  O  O19  1  0.365  0.777  0.886  1.0
  O  O20  1  0.056  0.859  0.437  1.0
  O  O21  1  0.056  0.938  0.020  1.0
  O  O22  1  0.979  0.873  0.224  1.0
  O  O23  1  0.090  0.626  0.616  1.0
  O  O24  1  0.933  0.577  0.823  1.0
  O  O25  1  0.659  0.728  0.084  1.0
  O  O26  1  0.386  0.673  0.306  1.0
  O  O27  1  0.576  0.586  0.549  1.0
  O  O28  1  0.554  0.449  0.980  1.0
  O  O29  1  0.481  0.484  0.773  1.0
  O  O30  1  0.981  0.516  0.227  1.0
  O  O31  1  0.054  0.551  0.020  1.0
  O  O32  1  0.076  0.414  0.451  1.0
  O  O33  1  0.886  0.327  0.694  1.0
  O  O34  1  0.159  0.272  0.916  1.0
  O  O35  1  0.433  0.423  0.177  1.0
  O  O36  1  0.590  0.374  0.384  1.0
  O  O37  1  0.479  0.127  0.776  1.0
  O  O38  1  0.556  0.062  0.980  1.0
  O  O39  1  0.556  0.141  0.563  1.0
  O  O40  1  0.865  0.223  0.114  1.0
  O  O41  1  0.181  0.174  0.308  1.0
  O  O42  1  0.942  0.006  0.821  1.0
  O  O43  1  0.046  0.077  0.586  1.0
[/CIF]
.