The structure described by La2Zr2O7 crystallizes in the cubic Fd-3m space group. La(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Zr(1) atoms to form OLa2Zr2 tetrahedra that share corners with two equivalent O(2)Zr4 tetrahedra, corners with twelve equivalent O(1)La2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(1)La2Zr2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(2)Zr4 tetrahedra, corners with twelve equivalent O(1)La2Zr2 tetrahedra, and edges with six equivalent O(1)La2Zr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.602
_cell_length_b   7.602
_cell_length_c   7.602
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   310.641
_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
  La  La0  1  0.125  0.125  0.625  1.0
  La  La1  1  0.125  0.125  0.125  1.0
  La  La2  1  0.625  0.125  0.125  1.0
  La  La3  1  0.125  0.625  0.125  1.0
  Zr  Zr4  1  0.625  0.625  0.625  1.0
  Zr  Zr5  1  0.125  0.625  0.625  1.0
  Zr  Zr6  1  0.625  0.125  0.625  1.0
  Zr  Zr7  1  0.625  0.625  0.125  1.0
  O  O8  1  0.508  0.992  0.992  1.0
  O  O9  1  0.258  0.742  0.742  1.0
  O  O10  1  0.992  0.992  0.508  1.0
  O  O11  1  0.508  0.508  0.992  1.0
  O  O12  1  0.742  0.742  0.258  1.0
  O  O13  1  0.992  0.508  0.508  1.0
  O  O14  1  0.750  0.750  0.750  1.0
  O  O15  1  0.258  0.258  0.742  1.0
  O  O16  1  0.508  0.992  0.508  1.0
  O  O17  1  0.742  0.258  0.742  1.0
  O  O18  1  0.742  0.258  0.258  1.0
  O  O19  1  0.258  0.742  0.258  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.992  0.508  0.992  1.0
[/CIF]
.
The structure described by La2Zr2O7 crystallizes in the cubic Fd-3m space group. La(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Zr(1) atoms to form OLa2Zr2 tetrahedra that share corners with two equivalent O(2)Zr4 tetrahedra, corners with twelve equivalent O(1)La2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(1)La2Zr2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(2)Zr4 tetrahedra, corners with twelve equivalent O(1)La2Zr2 tetrahedra, and edges with six equivalent O(1)La2Zr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.602
_cell_length_b   7.602
_cell_length_c   7.602
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   310.641
_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
  La  La0  1  0.125  0.125  0.625  1.0
  La  La1  1  0.125  0.125  0.125  1.0
  La  La2  1  0.625  0.125  0.125  1.0
  La  La3  1  0.125  0.625  0.125  1.0
  Zr  Zr4  1  0.625  0.625  0.625  1.0
  Zr  Zr5  1  0.125  0.625  0.625  1.0
  Zr  Zr6  1  0.625  0.125  0.625  1.0
  Zr  Zr7  1  0.625  0.625  0.125  1.0
  O  O8  1  0.508  0.992  0.992  1.0
  O  O9  1  0.258  0.742  0.742  1.0
  O  O10  1  0.992  0.992  0.508  1.0
  O  O11  1  0.508  0.508  0.992  1.0
  O  O12  1  0.742  0.742  0.258  1.0
  O  O13  1  0.992  0.508  0.508  1.0
  O  O14  1  0.750  0.750  0.750  1.0
  O  O15  1  0.258  0.258  0.742  1.0
  O  O16  1  0.508  0.992  0.508  1.0
  O  O17  1  0.742  0.258  0.742  1.0
  O  O18  1  0.742  0.258  0.258  1.0
  O  O19  1  0.258  0.742  0.258  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.992  0.508  0.992  1.0
[/CIF]
.