The material structure described by Cs8Zr(MoO4)6 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one O(4), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. Zr(1) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra and corners with four equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the second Mo site, Mo(2) is bonded to one O(6), one O(7), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(3), and one Mo(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(3), and one Mo(1) atom. In the third O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Mo(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one Mo(2) atom. In the fifth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zr(1), and one Mo(2) atom. In the sixth O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Zr(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs8Zr(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.320
_cell_length_b   11.320
_cell_length_c   8.575
_cell_angle_alpha   80.788
_cell_angle_beta   80.788
_cell_angle_gamma   123.458
_symmetry_Int_Tables_number   1
_cell_volume   862.837
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.214  0.214  0.358  1.0
  Cs  Cs1  1  0.786  0.786  0.642  1.0
  Cs  Cs2  1  0.665  0.335  0.500  1.0
  Cs  Cs3  1  0.335  0.665  0.500  1.0
  Cs  Cs4  1  0.867  0.521  0.890  1.0
  Cs  Cs5  1  0.521  0.867  0.890  1.0
  Cs  Cs6  1  0.133  0.479  0.110  1.0
  Cs  Cs7  1  0.479  0.133  0.110  1.0
  Zr  Zr8  1  0.000  0.000  0.000  1.0
  Mo  Mo9  1  0.949  0.256  0.721  1.0
  Mo  Mo10  1  0.256  0.949  0.721  1.0
  Mo  Mo11  1  0.051  0.744  0.279  1.0
  Mo  Mo12  1  0.744  0.051  0.279  1.0
  Mo  Mo13  1  0.377  0.377  0.798  1.0
  Mo  Mo14  1  0.623  0.623  0.202  1.0
  O  O15  1  0.943  0.091  0.818  1.0
  O  O16  1  0.091  0.943  0.818  1.0
  O  O17  1  0.057  0.909  0.182  1.0
  O  O18  1  0.909  0.057  0.182  1.0
  O  O19  1  0.768  0.213  0.776  1.0
  O  O20  1  0.213  0.768  0.776  1.0
  O  O21  1  0.232  0.787  0.224  1.0
  O  O22  1  0.787  0.232  0.224  1.0
  O  O23  1  0.063  0.406  0.795  1.0
  O  O24  1  0.406  0.063  0.795  1.0
  O  O25  1  0.937  0.594  0.205  1.0
  O  O26  1  0.594  0.937  0.205  1.0
  O  O27  1  0.025  0.312  0.502  1.0
  O  O28  1  0.312  0.025  0.502  1.0
  O  O29  1  0.975  0.688  0.498  1.0
  O  O30  1  0.688  0.975  0.498  1.0
  O  O31  1  0.398  0.542  0.814  1.0
  O  O32  1  0.542  0.398  0.814  1.0
  O  O33  1  0.602  0.458  0.186  1.0
  O  O34  1  0.458  0.602  0.186  1.0
  O  O35  1  0.208  0.208  0.962  1.0
  O  O36  1  0.792  0.792  0.038  1.0
  O  O37  1  0.352  0.352  0.604  1.0
  O  O38  1  0.648  0.648  0.396  1.0
[/CIF]
.
The material structure described by Cs8Zr(MoO4)6 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one O(4), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. Zr(1) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra and corners with four equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the second Mo site, Mo(2) is bonded to one O(6), one O(7), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(3), and one Mo(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(3), and one Mo(1) atom. In the third O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Mo(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one Mo(2) atom. In the fifth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zr(1), and one Mo(2) atom. In the sixth O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Zr(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs8Zr(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.320
_cell_length_b   11.320
_cell_length_c   8.575
_cell_angle_alpha   80.788
_cell_angle_beta   80.788
_cell_angle_gamma   123.458
_symmetry_Int_Tables_number   1
_cell_volume   862.837
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.214  0.214  0.358  1.0
  Cs  Cs1  1  0.786  0.786  0.642  1.0
  Cs  Cs2  1  0.665  0.335  0.500  1.0
  Cs  Cs3  1  0.335  0.665  0.500  1.0
  Cs  Cs4  1  0.867  0.521  0.890  1.0
  Cs  Cs5  1  0.521  0.867  0.890  1.0
  Cs  Cs6  1  0.133  0.479  0.110  1.0
  Cs  Cs7  1  0.479  0.133  0.110  1.0
  Zr  Zr8  1  0.000  0.000  0.000  1.0
  Mo  Mo9  1  0.949  0.256  0.721  1.0
  Mo  Mo10  1  0.256  0.949  0.721  1.0
  Mo  Mo11  1  0.051  0.744  0.279  1.0
  Mo  Mo12  1  0.744  0.051  0.279  1.0
  Mo  Mo13  1  0.377  0.377  0.798  1.0
  Mo  Mo14  1  0.623  0.623  0.202  1.0
  O  O15  1  0.943  0.091  0.818  1.0
  O  O16  1  0.091  0.943  0.818  1.0
  O  O17  1  0.057  0.909  0.182  1.0
  O  O18  1  0.909  0.057  0.182  1.0
  O  O19  1  0.768  0.213  0.776  1.0
  O  O20  1  0.213  0.768  0.776  1.0
  O  O21  1  0.232  0.787  0.224  1.0
  O  O22  1  0.787  0.232  0.224  1.0
  O  O23  1  0.063  0.406  0.795  1.0
  O  O24  1  0.406  0.063  0.795  1.0
  O  O25  1  0.937  0.594  0.205  1.0
  O  O26  1  0.594  0.937  0.205  1.0
  O  O27  1  0.025  0.312  0.502  1.0
  O  O28  1  0.312  0.025  0.502  1.0
  O  O29  1  0.975  0.688  0.498  1.0
  O  O30  1  0.688  0.975  0.498  1.0
  O  O31  1  0.398  0.542  0.814  1.0
  O  O32  1  0.542  0.398  0.814  1.0
  O  O33  1  0.602  0.458  0.186  1.0
  O  O34  1  0.458  0.602  0.186  1.0
  O  O35  1  0.208  0.208  0.962  1.0
  O  O36  1  0.792  0.792  0.038  1.0
  O  O37  1  0.352  0.352  0.604  1.0
  O  O38  1  0.648  0.648  0.396  1.0
[/CIF]
.