The material structure described by CsEr(WO4)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 W(1)O4 tetrahedra, and faces with two equivalent Er(1)O6 octahedra. Er(1) is bonded to six equivalent O(1) atoms to form ErO6 octahedra that share corners with six equivalent W(1)O4 tetrahedra and faces with two equivalent Cs(1)O12 cuboctahedra. W(1) is bonded to one O(2) and three equivalent O(1) atoms to form WO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Er(1), and one W(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one W(1) atom. is represented by the CIF card [CIF]
data_CsEr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   8.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   265.609
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.333  0.667  0.266  1.0
  W  W3  1  0.667  0.333  0.734  1.0
  O  O4  1  0.169  0.831  0.336  1.0
  O  O5  1  0.831  0.169  0.664  1.0
  O  O6  1  0.169  0.337  0.336  1.0
  O  O7  1  0.831  0.663  0.664  1.0
  O  O8  1  0.663  0.831  0.336  1.0
  O  O9  1  0.337  0.169  0.664  1.0
  O  O10  1  0.333  0.667  0.051  1.0
  O  O11  1  0.667  0.333  0.949  1.0
[/CIF]
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The material structure described by CsEr(WO4)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 W(1)O4 tetrahedra, and faces with two equivalent Er(1)O6 octahedra. Er(1) is bonded to six equivalent O(1) atoms to form ErO6 octahedra that share corners with six equivalent W(1)O4 tetrahedra and faces with two equivalent Cs(1)O12 cuboctahedra. W(1) is bonded to one O(2) and three equivalent O(1) atoms to form WO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Er(1), and one W(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one W(1) atom. is represented by the CIF card [CIF]
data_CsEr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   8.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   265.609
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.333  0.667  0.266  1.0
  W  W3  1  0.667  0.333  0.734  1.0
  O  O4  1  0.169  0.831  0.336  1.0
  O  O5  1  0.831  0.169  0.664  1.0
  O  O6  1  0.169  0.337  0.336  1.0
  O  O7  1  0.831  0.663  0.664  1.0
  O  O8  1  0.663  0.831  0.336  1.0
  O  O9  1  0.337  0.169  0.664  1.0
  O  O10  1  0.333  0.667  0.051  1.0
  O  O11  1  0.667  0.333  0.949  1.0
[/CIF]
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