The material structure described by ErCu(WO4)2 crystallizes in the monoclinic P2/c space group. Er(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ErO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Er(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Er(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Er(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Er(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_ErCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.082
_cell_length_c   10.985
_cell_angle_alpha   65.291
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.477
_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
  Er  Er0  1  0.334  0.000  0.750  1.0
  Er  Er1  1  0.666  0.000  0.250  1.0
  Cu  Cu2  1  0.716  0.500  0.750  1.0
  Cu  Cu3  1  0.284  0.500  0.250  1.0
  W  W4  1  0.169  0.762  0.489  1.0
  W  W5  1  0.831  0.238  0.511  1.0
  W  W6  1  0.169  0.238  0.011  1.0
  W  W7  1  0.831  0.762  0.989  1.0
  O  O8  1  0.361  0.731  0.363  1.0
  O  O9  1  0.361  0.269  0.137  1.0
  O  O10  1  0.639  0.269  0.637  1.0
  O  O11  1  0.639  0.731  0.863  1.0
  O  O12  1  0.910  0.162  0.889  1.0
  O  O13  1  0.910  0.838  0.611  1.0
  O  O14  1  0.090  0.838  0.111  1.0
  O  O15  1  0.090  0.162  0.389  1.0
  O  O16  1  0.634  0.217  0.388  1.0
  O  O17  1  0.634  0.783  0.112  1.0
  O  O18  1  0.366  0.783  0.612  1.0
  O  O19  1  0.366  0.217  0.888  1.0
  O  O20  1  0.885  0.661  0.403  1.0
  O  O21  1  0.115  0.339  0.597  1.0
  O  O22  1  0.885  0.339  0.097  1.0
  O  O23  1  0.115  0.661  0.903  1.0
[/CIF]
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The material structure described by ErCu(WO4)2 crystallizes in the monoclinic P2/c space group. Er(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ErO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Er(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Er(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Er(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Er(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_ErCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.082
_cell_length_c   10.985
_cell_angle_alpha   65.291
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.477
_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
  Er  Er0  1  0.334  0.000  0.750  1.0
  Er  Er1  1  0.666  0.000  0.250  1.0
  Cu  Cu2  1  0.716  0.500  0.750  1.0
  Cu  Cu3  1  0.284  0.500  0.250  1.0
  W  W4  1  0.169  0.762  0.489  1.0
  W  W5  1  0.831  0.238  0.511  1.0
  W  W6  1  0.169  0.238  0.011  1.0
  W  W7  1  0.831  0.762  0.989  1.0
  O  O8  1  0.361  0.731  0.363  1.0
  O  O9  1  0.361  0.269  0.137  1.0
  O  O10  1  0.639  0.269  0.637  1.0
  O  O11  1  0.639  0.731  0.863  1.0
  O  O12  1  0.910  0.162  0.889  1.0
  O  O13  1  0.910  0.838  0.611  1.0
  O  O14  1  0.090  0.838  0.111  1.0
  O  O15  1  0.090  0.162  0.389  1.0
  O  O16  1  0.634  0.217  0.388  1.0
  O  O17  1  0.634  0.783  0.112  1.0
  O  O18  1  0.366  0.783  0.612  1.0
  O  O19  1  0.366  0.217  0.888  1.0
  O  O20  1  0.885  0.661  0.403  1.0
  O  O21  1  0.115  0.339  0.597  1.0
  O  O22  1  0.885  0.339  0.097  1.0
  O  O23  1  0.115  0.661  0.903  1.0
[/CIF]
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