The compound described by Cs2TeMo3O12 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. Te(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(2), one Mo(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Te(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.510
_cell_length_b   7.510
_cell_length_c   12.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   617.381
_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
  Cs  Cs0  1  0.667  0.333  0.229  1.0
  Cs  Cs1  1  0.667  0.333  0.597  1.0
  Cs  Cs2  1  0.333  0.667  0.729  1.0
  Cs  Cs3  1  0.333  0.667  0.097  1.0
  Te  Te4  1  0.000  0.000  0.162  1.0
  Te  Te5  1  0.000  0.000  0.662  1.0
  Mo  Mo6  1  0.860  0.662  0.895  1.0
  Mo  Mo7  1  0.338  0.198  0.895  1.0
  Mo  Mo8  1  0.662  0.802  0.395  1.0
  Mo  Mo9  1  0.802  0.140  0.895  1.0
  Mo  Mo10  1  0.140  0.338  0.395  1.0
  Mo  Mo11  1  0.198  0.860  0.395  1.0
  O  O12  1  0.911  0.455  0.858  1.0
  O  O13  1  0.124  0.874  0.906  1.0
  O  O14  1  0.260  0.117  0.732  1.0
  O  O15  1  0.799  0.613  0.031  1.0
  O  O16  1  0.089  0.545  0.358  1.0
  O  O17  1  0.456  0.911  0.358  1.0
  O  O18  1  0.857  0.740  0.732  1.0
  O  O19  1  0.613  0.814  0.531  1.0
  O  O20  1  0.249  0.124  0.406  1.0
  O  O21  1  0.126  0.249  0.906  1.0
  O  O22  1  0.876  0.126  0.406  1.0
  O  O23  1  0.186  0.799  0.531  1.0
  O  O24  1  0.143  0.260  0.232  1.0
  O  O25  1  0.874  0.751  0.406  1.0
  O  O26  1  0.117  0.857  0.232  1.0
  O  O27  1  0.740  0.883  0.232  1.0
  O  O28  1  0.545  0.456  0.858  1.0
  O  O29  1  0.455  0.544  0.358  1.0
  O  O30  1  0.544  0.089  0.858  1.0
  O  O31  1  0.201  0.387  0.531  1.0
  O  O32  1  0.883  0.143  0.732  1.0
  O  O33  1  0.387  0.186  0.031  1.0
  O  O34  1  0.814  0.201  0.031  1.0
  O  O35  1  0.751  0.876  0.906  1.0
[/CIF]
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The compound described by Cs2TeMo3O12 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. Te(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(2), one Mo(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Te(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.510
_cell_length_b   7.510
_cell_length_c   12.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   617.381
_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
  Cs  Cs0  1  0.667  0.333  0.229  1.0
  Cs  Cs1  1  0.667  0.333  0.597  1.0
  Cs  Cs2  1  0.333  0.667  0.729  1.0
  Cs  Cs3  1  0.333  0.667  0.097  1.0
  Te  Te4  1  0.000  0.000  0.162  1.0
  Te  Te5  1  0.000  0.000  0.662  1.0
  Mo  Mo6  1  0.860  0.662  0.895  1.0
  Mo  Mo7  1  0.338  0.198  0.895  1.0
  Mo  Mo8  1  0.662  0.802  0.395  1.0
  Mo  Mo9  1  0.802  0.140  0.895  1.0
  Mo  Mo10  1  0.140  0.338  0.395  1.0
  Mo  Mo11  1  0.198  0.860  0.395  1.0
  O  O12  1  0.911  0.455  0.858  1.0
  O  O13  1  0.124  0.874  0.906  1.0
  O  O14  1  0.260  0.117  0.732  1.0
  O  O15  1  0.799  0.613  0.031  1.0
  O  O16  1  0.089  0.545  0.358  1.0
  O  O17  1  0.456  0.911  0.358  1.0
  O  O18  1  0.857  0.740  0.732  1.0
  O  O19  1  0.613  0.814  0.531  1.0
  O  O20  1  0.249  0.124  0.406  1.0
  O  O21  1  0.126  0.249  0.906  1.0
  O  O22  1  0.876  0.126  0.406  1.0
  O  O23  1  0.186  0.799  0.531  1.0
  O  O24  1  0.143  0.260  0.232  1.0
  O  O25  1  0.874  0.751  0.406  1.0
  O  O26  1  0.117  0.857  0.232  1.0
  O  O27  1  0.740  0.883  0.232  1.0
  O  O28  1  0.545  0.456  0.858  1.0
  O  O29  1  0.455  0.544  0.358  1.0
  O  O30  1  0.544  0.089  0.858  1.0
  O  O31  1  0.201  0.387  0.531  1.0
  O  O32  1  0.883  0.143  0.732  1.0
  O  O33  1  0.387  0.186  0.031  1.0
  O  O34  1  0.814  0.201  0.031  1.0
  O  O35  1  0.751  0.876  0.906  1.0
[/CIF]
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