The crystal structure described by Zr2PbO6 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(1) atoms to form distorted ZrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, and  a cornercorner with one Pb(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 14-46°. In the second Zr site, Zr(2) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra,  a cornercorner with one Pb(2)O4 trigonal pyramid, and  an edgeedge with one Pb(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 18-39°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. In the second Pb site, Pb(2) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form PbO4 trigonal pyramids that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and edges with two equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to two equivalent Zr(2) and one Pb(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Zr(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OZr2Pb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Pb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Zr(2) and one Pb(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Zr(2), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Zr2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   8.470
_cell_length_c   11.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.949
_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  0.233  0.268  0.126  1.0
  Zr  Zr1  1  0.233  0.732  0.126  1.0
  Zr  Zr2  1  0.265  0.776  0.619  1.0
  Zr  Zr3  1  0.265  0.224  0.619  1.0
  Zr  Zr4  1  0.733  0.268  0.374  1.0
  Zr  Zr5  1  0.733  0.732  0.374  1.0
  Zr  Zr6  1  0.765  0.224  0.881  1.0
  Zr  Zr7  1  0.765  0.776  0.881  1.0
  Pb  Pb8  1  0.128  0.000  0.363  1.0
  Pb  Pb9  1  0.376  0.500  0.868  1.0
  Pb  Pb10  1  0.628  0.000  0.137  1.0
  Pb  Pb11  1  0.876  0.500  0.632  1.0
  O  O12  1  0.024  0.266  0.261  1.0
  O  O13  1  0.024  0.734  0.261  1.0
  O  O14  1  0.220  0.500  0.595  1.0
  O  O15  1  0.262  0.000  0.668  1.0
  O  O16  1  0.264  0.000  0.187  1.0
  O  O17  1  0.262  0.500  0.052  1.0
  O  O18  1  0.449  0.294  0.773  1.0
  O  O19  1  0.449  0.706  0.773  1.0
  O  O20  1  0.509  0.209  0.500  1.0
  O  O21  1  0.513  0.177  0.012  1.0
  O  O22  1  0.509  0.791  0.500  1.0
  O  O23  1  0.513  0.823  0.012  1.0
  O  O24  1  0.524  0.266  0.239  1.0
  O  O25  1  0.524  0.734  0.239  1.0
  O  O26  1  0.720  0.500  0.905  1.0
  O  O27  1  0.762  0.000  0.832  1.0
  O  O28  1  0.764  0.000  0.313  1.0
  O  O29  1  0.762  0.500  0.448  1.0
  O  O30  1  0.949  0.294  0.727  1.0
  O  O31  1  0.949  0.706  0.727  1.0
  O  O32  1  0.013  0.177  0.488  1.0
  O  O33  1  0.009  0.209  1.000  1.0
  O  O34  1  0.009  0.791  1.000  1.0
  O  O35  1  0.013  0.823  0.488  1.0
[/CIF]
.
The crystal structure described by Zr2PbO6 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(1) atoms to form distorted ZrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, and  a cornercorner with one Pb(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 14-46°. In the second Zr site, Zr(2) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra,  a cornercorner with one Pb(2)O4 trigonal pyramid, and  an edgeedge with one Pb(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 18-39°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. In the second Pb site, Pb(2) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form PbO4 trigonal pyramids that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and edges with two equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to two equivalent Zr(2) and one Pb(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Zr(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OZr2Pb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Pb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Zr(2) and one Pb(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Zr(2), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Zr2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   8.470
_cell_length_c   11.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.949
_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  0.233  0.268  0.126  1.0
  Zr  Zr1  1  0.233  0.732  0.126  1.0
  Zr  Zr2  1  0.265  0.776  0.619  1.0
  Zr  Zr3  1  0.265  0.224  0.619  1.0
  Zr  Zr4  1  0.733  0.268  0.374  1.0
  Zr  Zr5  1  0.733  0.732  0.374  1.0
  Zr  Zr6  1  0.765  0.224  0.881  1.0
  Zr  Zr7  1  0.765  0.776  0.881  1.0
  Pb  Pb8  1  0.128  0.000  0.363  1.0
  Pb  Pb9  1  0.376  0.500  0.868  1.0
  Pb  Pb10  1  0.628  0.000  0.137  1.0
  Pb  Pb11  1  0.876  0.500  0.632  1.0
  O  O12  1  0.024  0.266  0.261  1.0
  O  O13  1  0.024  0.734  0.261  1.0
  O  O14  1  0.220  0.500  0.595  1.0
  O  O15  1  0.262  0.000  0.668  1.0
  O  O16  1  0.264  0.000  0.187  1.0
  O  O17  1  0.262  0.500  0.052  1.0
  O  O18  1  0.449  0.294  0.773  1.0
  O  O19  1  0.449  0.706  0.773  1.0
  O  O20  1  0.509  0.209  0.500  1.0
  O  O21  1  0.513  0.177  0.012  1.0
  O  O22  1  0.509  0.791  0.500  1.0
  O  O23  1  0.513  0.823  0.012  1.0
  O  O24  1  0.524  0.266  0.239  1.0
  O  O25  1  0.524  0.734  0.239  1.0
  O  O26  1  0.720  0.500  0.905  1.0
  O  O27  1  0.762  0.000  0.832  1.0
  O  O28  1  0.764  0.000  0.313  1.0
  O  O29  1  0.762  0.500  0.448  1.0
  O  O30  1  0.949  0.294  0.727  1.0
  O  O31  1  0.949  0.706  0.727  1.0
  O  O32  1  0.013  0.177  0.488  1.0
  O  O33  1  0.009  0.209  1.000  1.0
  O  O34  1  0.009  0.791  1.000  1.0
  O  O35  1  0.013  0.823  0.488  1.0
[/CIF]
.