The material structure described by CsCr(MoO4)2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with six equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. Mo(1) is bonded to one O(1) and three equivalent O(2) atoms to form MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. Cr(1) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent Cs(1)O12 cuboctahedra. There are two 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 distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.776
_cell_length_b   5.776
_cell_length_c   8.252
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   238.449
_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
  Cr  Cr0  1  1.000  0.000  0.500  1.0
  Cs  Cs1  1  0.000  1.000  1.000  1.0
  Mo  Mo2  1  0.667  0.667  0.291  1.0
  Mo  Mo3  1  0.333  0.333  0.709  1.0
  O  O4  1  0.667  0.667  0.079  1.0
  O  O5  1  0.333  0.333  0.921  1.0
  O  O6  1  0.322  0.839  0.357  1.0
  O  O7  1  0.678  0.161  0.643  1.0
  O  O8  1  0.839  0.322  0.357  1.0
  O  O9  1  0.161  0.678  0.643  1.0
  O  O10  1  0.839  0.839  0.357  1.0
  O  O11  1  0.161  0.161  0.643  1.0
[/CIF]
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The material structure described by CsCr(MoO4)2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with six equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. Mo(1) is bonded to one O(1) and three equivalent O(2) atoms to form MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. Cr(1) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent Cs(1)O12 cuboctahedra. There are two 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 distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.776
_cell_length_b   5.776
_cell_length_c   8.252
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   238.449
_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
  Cr  Cr0  1  1.000  0.000  0.500  1.0
  Cs  Cs1  1  0.000  1.000  1.000  1.0
  Mo  Mo2  1  0.667  0.667  0.291  1.0
  Mo  Mo3  1  0.333  0.333  0.709  1.0
  O  O4  1  0.667  0.667  0.079  1.0
  O  O5  1  0.333  0.333  0.921  1.0
  O  O6  1  0.322  0.839  0.357  1.0
  O  O7  1  0.678  0.161  0.643  1.0
  O  O8  1  0.839  0.322  0.357  1.0
  O  O9  1  0.161  0.678  0.643  1.0
  O  O10  1  0.839  0.839  0.357  1.0
  O  O11  1  0.161  0.161  0.643  1.0
[/CIF]
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