The material described by GdCuSe2O6Cl crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(9), two equivalent O(11), two equivalent O(5), and one Cl(2) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(7), two equivalent O(1), two equivalent O(12), and one Cl(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(10), one O(8), one O(9), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and two equivalent Cl(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(12), one O(2), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one O(1), one O(7), and one O(8) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(5), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd(2) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Cu(2), and one Se(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Se(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Gd(1) and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Gd(2), one Cu(2), and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Cu(1), and one Se(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Gd(1) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Gd(2) and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Gd(2) and two equivalent Cu(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Gd(1) and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCuSe2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.126
_cell_length_b   9.404
_cell_length_c   12.111
_cell_angle_alpha   97.904
_cell_angle_beta   106.960
_cell_angle_gamma   109.608
_symmetry_Int_Tables_number   1
_cell_volume   705.890
_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
  Gd  Gd0  1  0.663  0.389  0.430  1.0
  Gd  Gd1  1  0.337  0.611  0.570  1.0
  Gd  Gd2  1  0.664  0.913  0.914  1.0
  Gd  Gd3  1  0.336  0.087  0.086  1.0
  Cu  Cu4  1  0.580  0.621  0.158  1.0
  Cu  Cu5  1  0.425  0.855  0.348  1.0
  Cu  Cu6  1  0.420  0.379  0.842  1.0
  Cu  Cu7  1  0.575  0.145  0.652  1.0
  Se  Se8  1  0.217  0.928  0.747  1.0
  Se  Se9  1  0.984  0.259  0.902  1.0
  Se  Se10  1  0.965  0.733  0.405  1.0
  Se  Se11  1  0.035  0.267  0.595  1.0
  Se  Se12  1  0.219  0.406  0.251  1.0
  Se  Se13  1  0.783  0.072  0.253  1.0
  Se  Se14  1  0.781  0.594  0.749  1.0
  Se  Se15  1  0.016  0.741  0.098  1.0
  Cl  Cl16  1  0.408  0.647  0.971  1.0
  Cl  Cl17  1  0.360  0.126  0.462  1.0
  Cl  Cl18  1  0.592  0.353  0.029  1.0
  Cl  Cl19  1  0.640  0.874  0.538  1.0
  O  O20  1  0.015  0.144  0.001  1.0
  O  O21  1  0.641  0.185  0.276  1.0
  O  O22  1  0.183  0.707  0.381  1.0
  O  O23  1  0.653  0.720  0.764  1.0
  O  O24  1  0.020  0.358  0.478  1.0
  O  O25  1  0.684  0.921  0.312  1.0
  O  O26  1  0.985  0.856  0.999  1.0
  O  O27  1  0.736  0.115  0.805  1.0
  O  O28  1  0.264  0.885  0.195  1.0
  O  O29  1  0.858  0.774  0.174  1.0
  O  O30  1  0.817  0.293  0.619  1.0
  O  O31  1  0.142  0.226  0.826  1.0
  O  O32  1  0.259  0.429  0.696  1.0
  O  O33  1  0.700  0.465  0.830  1.0
  O  O34  1  0.300  0.535  0.170  1.0
  O  O35  1  0.389  0.498  0.398  1.0
  O  O36  1  0.980  0.642  0.522  1.0
  O  O37  1  0.360  0.992  0.901  1.0
  O  O38  1  0.640  0.008  0.099  1.0
  O  O39  1  0.347  0.280  0.236  1.0
  O  O40  1  0.359  0.815  0.724  1.0
  O  O41  1  0.316  0.079  0.688  1.0
  O  O42  1  0.741  0.571  0.304  1.0
  O  O43  1  0.611  0.502  0.602  1.0
[/CIF]
.
The material described by GdCuSe2O6Cl crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(9), two equivalent O(11), two equivalent O(5), and one Cl(2) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(7), two equivalent O(1), two equivalent O(12), and one Cl(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(10), one O(8), one O(9), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and two equivalent Cl(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(12), one O(2), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one O(1), one O(7), and one O(8) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(5), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd(2) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Cu(2), and one Se(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Se(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Gd(1) and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Gd(2), one Cu(2), and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Cu(1), and one Se(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Gd(1) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Gd(2) and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Gd(2) and two equivalent Cu(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Gd(1) and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCuSe2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.126
_cell_length_b   9.404
_cell_length_c   12.111
_cell_angle_alpha   97.904
_cell_angle_beta   106.960
_cell_angle_gamma   109.608
_symmetry_Int_Tables_number   1
_cell_volume   705.890
_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
  Gd  Gd0  1  0.663  0.389  0.430  1.0
  Gd  Gd1  1  0.337  0.611  0.570  1.0
  Gd  Gd2  1  0.664  0.913  0.914  1.0
  Gd  Gd3  1  0.336  0.087  0.086  1.0
  Cu  Cu4  1  0.580  0.621  0.158  1.0
  Cu  Cu5  1  0.425  0.855  0.348  1.0
  Cu  Cu6  1  0.420  0.379  0.842  1.0
  Cu  Cu7  1  0.575  0.145  0.652  1.0
  Se  Se8  1  0.217  0.928  0.747  1.0
  Se  Se9  1  0.984  0.259  0.902  1.0
  Se  Se10  1  0.965  0.733  0.405  1.0
  Se  Se11  1  0.035  0.267  0.595  1.0
  Se  Se12  1  0.219  0.406  0.251  1.0
  Se  Se13  1  0.783  0.072  0.253  1.0
  Se  Se14  1  0.781  0.594  0.749  1.0
  Se  Se15  1  0.016  0.741  0.098  1.0
  Cl  Cl16  1  0.408  0.647  0.971  1.0
  Cl  Cl17  1  0.360  0.126  0.462  1.0
  Cl  Cl18  1  0.592  0.353  0.029  1.0
  Cl  Cl19  1  0.640  0.874  0.538  1.0
  O  O20  1  0.015  0.144  0.001  1.0
  O  O21  1  0.641  0.185  0.276  1.0
  O  O22  1  0.183  0.707  0.381  1.0
  O  O23  1  0.653  0.720  0.764  1.0
  O  O24  1  0.020  0.358  0.478  1.0
  O  O25  1  0.684  0.921  0.312  1.0
  O  O26  1  0.985  0.856  0.999  1.0
  O  O27  1  0.736  0.115  0.805  1.0
  O  O28  1  0.264  0.885  0.195  1.0
  O  O29  1  0.858  0.774  0.174  1.0
  O  O30  1  0.817  0.293  0.619  1.0
  O  O31  1  0.142  0.226  0.826  1.0
  O  O32  1  0.259  0.429  0.696  1.0
  O  O33  1  0.700  0.465  0.830  1.0
  O  O34  1  0.300  0.535  0.170  1.0
  O  O35  1  0.389  0.498  0.398  1.0
  O  O36  1  0.980  0.642  0.522  1.0
  O  O37  1  0.360  0.992  0.901  1.0
  O  O38  1  0.640  0.008  0.099  1.0
  O  O39  1  0.347  0.280  0.236  1.0
  O  O40  1  0.359  0.815  0.724  1.0
  O  O41  1  0.316  0.079  0.688  1.0
  O  O42  1  0.741  0.571  0.304  1.0
  O  O43  1  0.611  0.502  0.602  1.0
[/CIF]
.