The material described by ErCu(WO4)2 crystallizes in the triclinic P1 space group. Er(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form ErO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-56°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Er(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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 33-56°. Cu(1) is bonded in a distorted linear geometry to one O(3), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Er(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Er(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Er(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Er(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Er(1), one W(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   6.056
_cell_length_c   6.072
_cell_angle_alpha   109.162
_cell_angle_beta   114.421
_cell_angle_gamma   91.722
_symmetry_Int_Tables_number   1
_cell_volume   160.050
_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
  Er  Er0  1  0.642  0.711  0.094  1.0
  Cu  Cu1  1  0.122  0.195  0.084  1.0
  W  W2  1  0.381  0.035  0.601  1.0
  W  W3  1  0.881  0.372  0.578  1.0
  O  O4  1  0.599  0.032  0.395  1.0
  O  O5  1  0.657  0.381  0.780  1.0
  O  O6  1  0.165  0.171  0.790  1.0
  O  O7  1  0.659  0.497  0.346  1.0
  O  O8  1  0.159  0.628  0.834  1.0
  O  O9  1  0.085  0.219  0.381  1.0
  O  O10  1  0.123  0.765  0.350  1.0
  O  O11  1  0.622  0.923  0.842  1.0
[/CIF]
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The material described by ErCu(WO4)2 crystallizes in the triclinic P1 space group. Er(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form ErO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-56°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Er(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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 33-56°. Cu(1) is bonded in a distorted linear geometry to one O(3), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Er(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Er(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Er(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Er(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Er(1), one W(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   6.056
_cell_length_c   6.072
_cell_angle_alpha   109.162
_cell_angle_beta   114.421
_cell_angle_gamma   91.722
_symmetry_Int_Tables_number   1
_cell_volume   160.050
_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
  Er  Er0  1  0.642  0.711  0.094  1.0
  Cu  Cu1  1  0.122  0.195  0.084  1.0
  W  W2  1  0.381  0.035  0.601  1.0
  W  W3  1  0.881  0.372  0.578  1.0
  O  O4  1  0.599  0.032  0.395  1.0
  O  O5  1  0.657  0.381  0.780  1.0
  O  O6  1  0.165  0.171  0.790  1.0
  O  O7  1  0.659  0.497  0.346  1.0
  O  O8  1  0.159  0.628  0.834  1.0
  O  O9  1  0.085  0.219  0.381  1.0
  O  O10  1  0.123  0.765  0.350  1.0
  O  O11  1  0.622  0.923  0.842  1.0
[/CIF]
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