The material described by ErCuTe2O6Br crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), one O(6), and one Br(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(6), and one Br(1) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Er(1), one Cu(1), and one Te(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Er(1), one Cu(1), and one Te(1) atom. In the third O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er(1) and one Te(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Er(1), one Cu(1), and one Te(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er(1) and one Te(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Er(1), one Cu(1), and one Te(2) atom. Br(1) is bonded in a distorted water-like geometry to one Cu(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_ErCuTe2BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.984
_cell_length_b   5.426
_cell_length_c   9.468
_cell_angle_alpha   81.446
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   761.284
_cell_formula_units_Z   4
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  0.588  0.253  0.981  1.0
  Er  Er1  1  0.412  0.747  0.019  1.0
  Er  Er2  1  0.088  0.747  0.519  1.0
  Er  Er3  1  0.912  0.253  0.481  1.0
  Cu  Cu4  1  0.232  0.735  0.804  1.0
  Cu  Cu5  1  0.732  0.265  0.696  1.0
  Cu  Cu6  1  0.768  0.265  0.196  1.0
  Cu  Cu7  1  0.268  0.735  0.304  1.0
  Te  Te8  1  0.904  0.769  0.219  1.0
  Te  Te9  1  0.644  0.748  0.226  1.0
  Te  Te10  1  0.596  0.769  0.719  1.0
  Te  Te11  1  0.096  0.231  0.781  1.0
  Te  Te12  1  0.404  0.231  0.281  1.0
  Te  Te13  1  0.356  0.252  0.774  1.0
  Te  Te14  1  0.856  0.748  0.726  1.0
  Te  Te15  1  0.144  0.252  0.274  1.0
  Br  Br16  1  0.900  0.257  0.954  1.0
  Br  Br17  1  0.600  0.257  0.454  1.0
  Br  Br18  1  0.400  0.743  0.546  1.0
  Br  Br19  1  0.100  0.743  0.046  1.0
  O  O20  1  0.685  0.523  0.795  1.0
  O  O21  1  0.479  0.377  0.129  1.0
  O  O22  1  0.855  0.033  0.310  1.0
  O  O23  1  0.979  0.623  0.371  1.0
  O  O24  1  0.145  0.967  0.690  1.0
  O  O25  1  0.355  0.967  0.190  1.0
  O  O26  1  0.960  0.880  0.625  1.0
  O  O27  1  0.709  0.010  0.109  1.0
  O  O28  1  0.291  0.990  0.891  1.0
  O  O29  1  0.021  0.377  0.629  1.0
  O  O30  1  0.185  0.477  0.705  1.0
  O  O31  1  0.791  0.010  0.609  1.0
  O  O32  1  0.172  0.506  0.388  1.0
  O  O33  1  0.815  0.523  0.295  1.0
  O  O34  1  0.315  0.477  0.205  1.0
  O  O35  1  0.540  0.880  0.125  1.0
  O  O36  1  0.209  0.990  0.391  1.0
  O  O37  1  0.460  0.120  0.875  1.0
  O  O38  1  0.521  0.623  0.871  1.0
  O  O39  1  0.672  0.494  0.112  1.0
  O  O40  1  0.645  0.033  0.810  1.0
  O  O41  1  0.328  0.506  0.888  1.0
  O  O42  1  0.828  0.494  0.612  1.0
  O  O43  1  0.040  0.120  0.375  1.0
[/CIF]
.
The material described by ErCuTe2O6Br crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), one O(6), and one Br(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(6), and one Br(1) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Er(1), one Cu(1), and one Te(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Er(1), one Cu(1), and one Te(1) atom. In the third O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er(1) and one Te(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Er(1), one Cu(1), and one Te(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er(1) and one Te(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Er(1), one Cu(1), and one Te(2) atom. Br(1) is bonded in a distorted water-like geometry to one Cu(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_ErCuTe2BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.984
_cell_length_b   5.426
_cell_length_c   9.468
_cell_angle_alpha   81.446
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   761.284
_cell_formula_units_Z   4
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  0.588  0.253  0.981  1.0
  Er  Er1  1  0.412  0.747  0.019  1.0
  Er  Er2  1  0.088  0.747  0.519  1.0
  Er  Er3  1  0.912  0.253  0.481  1.0
  Cu  Cu4  1  0.232  0.735  0.804  1.0
  Cu  Cu5  1  0.732  0.265  0.696  1.0
  Cu  Cu6  1  0.768  0.265  0.196  1.0
  Cu  Cu7  1  0.268  0.735  0.304  1.0
  Te  Te8  1  0.904  0.769  0.219  1.0
  Te  Te9  1  0.644  0.748  0.226  1.0
  Te  Te10  1  0.596  0.769  0.719  1.0
  Te  Te11  1  0.096  0.231  0.781  1.0
  Te  Te12  1  0.404  0.231  0.281  1.0
  Te  Te13  1  0.356  0.252  0.774  1.0
  Te  Te14  1  0.856  0.748  0.726  1.0
  Te  Te15  1  0.144  0.252  0.274  1.0
  Br  Br16  1  0.900  0.257  0.954  1.0
  Br  Br17  1  0.600  0.257  0.454  1.0
  Br  Br18  1  0.400  0.743  0.546  1.0
  Br  Br19  1  0.100  0.743  0.046  1.0
  O  O20  1  0.685  0.523  0.795  1.0
  O  O21  1  0.479  0.377  0.129  1.0
  O  O22  1  0.855  0.033  0.310  1.0
  O  O23  1  0.979  0.623  0.371  1.0
  O  O24  1  0.145  0.967  0.690  1.0
  O  O25  1  0.355  0.967  0.190  1.0
  O  O26  1  0.960  0.880  0.625  1.0
  O  O27  1  0.709  0.010  0.109  1.0
  O  O28  1  0.291  0.990  0.891  1.0
  O  O29  1  0.021  0.377  0.629  1.0
  O  O30  1  0.185  0.477  0.705  1.0
  O  O31  1  0.791  0.010  0.609  1.0
  O  O32  1  0.172  0.506  0.388  1.0
  O  O33  1  0.815  0.523  0.295  1.0
  O  O34  1  0.315  0.477  0.205  1.0
  O  O35  1  0.540  0.880  0.125  1.0
  O  O36  1  0.209  0.990  0.391  1.0
  O  O37  1  0.460  0.120  0.875  1.0
  O  O38  1  0.521  0.623  0.871  1.0
  O  O39  1  0.672  0.494  0.112  1.0
  O  O40  1  0.645  0.033  0.810  1.0
  O  O41  1  0.328  0.506  0.888  1.0
  O  O42  1  0.828  0.494  0.612  1.0
  O  O43  1  0.040  0.120  0.375  1.0
[/CIF]
.