The structure described by Cs2MnZr(MoO4)4 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded to one O(3), one O(4), two equivalent O(5), two equivalent O(6), three equivalent O(1), and three equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with three equivalent Mo(1)O4 tetrahedra, edges with three equivalent Mo(2)O4 tetrahedra,  a faceface with one Zr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. Zr(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-19°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one Zr(1), and one Mo(2) 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(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2ZrMn(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.957
_cell_length_b   10.240
_cell_length_c   10.259
_cell_angle_alpha   60.508
_cell_angle_beta   73.131
_cell_angle_gamma   73.108
_symmetry_Int_Tables_number   1
_cell_volume   512.997
_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  0.757  0.254  0.232  1.0
  Cs  Cs1  1  0.243  0.746  0.768  1.0
  Mn  Mn2  1  1.000  0.000  1.000  1.0
  Mo  Mo3  1  0.889  0.777  0.445  1.0
  Mo  Mo4  1  0.111  0.223  0.555  1.0
  Mo  Mo5  1  0.391  0.276  0.943  1.0
  Mo  Mo6  1  0.609  0.724  0.057  1.0
  O  O7  1  0.784  0.881  0.550  1.0
  O  O8  1  0.216  0.119  0.449  1.0
  O  O9  1  0.285  0.383  0.047  1.0
  O  O10  1  0.715  0.617  0.953  1.0
  O  O11  1  0.921  0.909  0.250  1.0
  O  O12  1  0.079  0.091  0.750  1.0
  O  O13  1  0.427  0.410  0.737  1.0
  O  O14  1  0.573  0.590  0.263  1.0
  O  O15  1  0.178  0.658  0.493  1.0
  O  O16  1  0.672  0.658  0.493  1.0
  O  O17  1  0.822  0.342  0.507  1.0
  O  O18  1  0.328  0.342  0.507  1.0
  O  O19  1  0.671  0.161  0.994  1.0
  O  O20  1  0.175  0.161  0.994  1.0
  O  O21  1  0.329  0.839  0.006  1.0
  O  O22  1  0.825  0.839  0.006  1.0
  Zr  Zr23  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Cs2MnZr(MoO4)4 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded to one O(3), one O(4), two equivalent O(5), two equivalent O(6), three equivalent O(1), and three equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with three equivalent Mo(1)O4 tetrahedra, edges with three equivalent Mo(2)O4 tetrahedra,  a faceface with one Zr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. Zr(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-19°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one Zr(1), and one Mo(2) 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(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2ZrMn(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.957
_cell_length_b   10.240
_cell_length_c   10.259
_cell_angle_alpha   60.508
_cell_angle_beta   73.131
_cell_angle_gamma   73.108
_symmetry_Int_Tables_number   1
_cell_volume   512.997
_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  0.757  0.254  0.232  1.0
  Cs  Cs1  1  0.243  0.746  0.768  1.0
  Mn  Mn2  1  1.000  0.000  1.000  1.0
  Mo  Mo3  1  0.889  0.777  0.445  1.0
  Mo  Mo4  1  0.111  0.223  0.555  1.0
  Mo  Mo5  1  0.391  0.276  0.943  1.0
  Mo  Mo6  1  0.609  0.724  0.057  1.0
  O  O7  1  0.784  0.881  0.550  1.0
  O  O8  1  0.216  0.119  0.449  1.0
  O  O9  1  0.285  0.383  0.047  1.0
  O  O10  1  0.715  0.617  0.953  1.0
  O  O11  1  0.921  0.909  0.250  1.0
  O  O12  1  0.079  0.091  0.750  1.0
  O  O13  1  0.427  0.410  0.737  1.0
  O  O14  1  0.573  0.590  0.263  1.0
  O  O15  1  0.178  0.658  0.493  1.0
  O  O16  1  0.672  0.658  0.493  1.0
  O  O17  1  0.822  0.342  0.507  1.0
  O  O18  1  0.328  0.342  0.507  1.0
  O  O19  1  0.671  0.161  0.994  1.0
  O  O20  1  0.175  0.161  0.994  1.0
  O  O21  1  0.329  0.839  0.006  1.0
  O  O22  1  0.825  0.839  0.006  1.0
  Zr  Zr23  1  0.500  0.500  0.500  1.0
[/CIF]
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