The crystal structure described by Cs2MnZr2(MoO4)6 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-40°. In the third Mo site, Mo(3) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. Mn(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zr(2) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Mn(1) atom. In the fifth O site, O(5) 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(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zr(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Zr(2) and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Zr(1) and one Mo(3) atom. is represented by the CIF file [CIF]
data_Cs2Zr2Mn(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.958
_cell_length_b   8.971
_cell_length_c   8.978
_cell_angle_alpha   100.091
_cell_angle_beta   100.280
_cell_angle_gamma   100.119
_symmetry_Int_Tables_number   1
_cell_volume   682.775
_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  0.667  0.668  0.668  1.0
  Cs  Cs1  1  0.333  0.332  0.332  1.0
  Zr  Zr2  1  0.000  0.000  0.500  1.0
  Zr  Zr3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mo  Mo5  1  0.700  0.155  0.713  1.0
  Mo  Mo6  1  0.157  0.712  0.700  1.0
  Mo  Mo7  1  0.711  0.700  0.155  1.0
  Mo  Mo8  1  0.300  0.845  0.287  1.0
  Mo  Mo9  1  0.843  0.288  0.300  1.0
  Mo  Mo10  1  0.289  0.300  0.845  1.0
  O  O11  1  0.811  0.058  0.587  1.0
  O  O12  1  0.059  0.587  0.811  1.0
  O  O13  1  0.589  0.805  0.061  1.0
  O  O14  1  0.189  0.942  0.413  1.0
  O  O15  1  0.941  0.413  0.189  1.0
  O  O16  1  0.411  0.195  0.939  1.0
  O  O17  1  0.642  0.024  0.830  1.0
  O  O18  1  0.022  0.835  0.640  1.0
  O  O19  1  0.835  0.640  0.021  1.0
  O  O20  1  0.358  0.976  0.170  1.0
  O  O21  1  0.978  0.165  0.360  1.0
  O  O22  1  0.165  0.360  0.979  1.0
  O  O23  1  0.537  0.197  0.604  1.0
  O  O24  1  0.198  0.603  0.538  1.0
  O  O25  1  0.602  0.538  0.197  1.0
  O  O26  1  0.463  0.803  0.396  1.0
  O  O27  1  0.802  0.397  0.462  1.0
  O  O28  1  0.398  0.462  0.803  1.0
  O  O29  1  0.823  0.333  0.839  1.0
  O  O30  1  0.329  0.834  0.818  1.0
  O  O31  1  0.839  0.823  0.333  1.0
  O  O32  1  0.177  0.667  0.161  1.0
  O  O33  1  0.671  0.166  0.182  1.0
  O  O34  1  0.161  0.177  0.667  1.0
[/CIF]
.
The crystal structure described by Cs2MnZr2(MoO4)6 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-40°. In the third Mo site, Mo(3) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. Mn(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zr(2) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Mn(1) atom. In the fifth O site, O(5) 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(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zr(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Zr(2) and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Zr(1) and one Mo(3) atom. is represented by the CIF file [CIF]
data_Cs2Zr2Mn(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.958
_cell_length_b   8.971
_cell_length_c   8.978
_cell_angle_alpha   100.091
_cell_angle_beta   100.280
_cell_angle_gamma   100.119
_symmetry_Int_Tables_number   1
_cell_volume   682.775
_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  0.667  0.668  0.668  1.0
  Cs  Cs1  1  0.333  0.332  0.332  1.0
  Zr  Zr2  1  0.000  0.000  0.500  1.0
  Zr  Zr3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mo  Mo5  1  0.700  0.155  0.713  1.0
  Mo  Mo6  1  0.157  0.712  0.700  1.0
  Mo  Mo7  1  0.711  0.700  0.155  1.0
  Mo  Mo8  1  0.300  0.845  0.287  1.0
  Mo  Mo9  1  0.843  0.288  0.300  1.0
  Mo  Mo10  1  0.289  0.300  0.845  1.0
  O  O11  1  0.811  0.058  0.587  1.0
  O  O12  1  0.059  0.587  0.811  1.0
  O  O13  1  0.589  0.805  0.061  1.0
  O  O14  1  0.189  0.942  0.413  1.0
  O  O15  1  0.941  0.413  0.189  1.0
  O  O16  1  0.411  0.195  0.939  1.0
  O  O17  1  0.642  0.024  0.830  1.0
  O  O18  1  0.022  0.835  0.640  1.0
  O  O19  1  0.835  0.640  0.021  1.0
  O  O20  1  0.358  0.976  0.170  1.0
  O  O21  1  0.978  0.165  0.360  1.0
  O  O22  1  0.165  0.360  0.979  1.0
  O  O23  1  0.537  0.197  0.604  1.0
  O  O24  1  0.198  0.603  0.538  1.0
  O  O25  1  0.602  0.538  0.197  1.0
  O  O26  1  0.463  0.803  0.396  1.0
  O  O27  1  0.802  0.397  0.462  1.0
  O  O28  1  0.398  0.462  0.803  1.0
  O  O29  1  0.823  0.333  0.839  1.0
  O  O30  1  0.329  0.834  0.818  1.0
  O  O31  1  0.839  0.823  0.333  1.0
  O  O32  1  0.177  0.667  0.161  1.0
  O  O33  1  0.671  0.166  0.182  1.0
  O  O34  1  0.161  0.177  0.667  1.0
[/CIF]
.