The crystal structure described by CeCu(WO4)2 crystallizes in the triclinic P-1 space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(8), and two equivalent O(6) atoms. Cu(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one W(2) atom. In the sixth O site, O(6) is bonded to one W(1), two equivalent W(2), and one Cu(1) atom to form distorted edge-sharing OCuW3 tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ce(1), one W(1), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_CeCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.269
_cell_length_b   7.469
_cell_length_c   7.627
_cell_angle_alpha   113.964
_cell_angle_beta   116.235
_cell_angle_gamma   91.222
_symmetry_Int_Tables_number   1
_cell_volume   329.095
_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
  Ce  Ce0  1  0.185  0.288  0.465  1.0
  Ce  Ce1  1  0.815  0.712  0.535  1.0
  Cu  Cu2  1  0.242  0.676  0.991  1.0
  Cu  Cu3  1  0.758  0.324  0.009  1.0
  W  W4  1  0.264  0.294  0.033  1.0
  W  W5  1  0.736  0.706  0.967  1.0
  W  W6  1  0.650  0.104  0.288  1.0
  W  W7  1  0.350  0.896  0.712  1.0
  O  O8  1  0.190  0.356  0.802  1.0
  O  O9  1  0.810  0.644  0.198  1.0
  O  O10  1  0.457  0.538  0.256  1.0
  O  O11  1  0.543  0.462  0.744  1.0
  O  O12  1  0.862  0.011  0.199  1.0
  O  O13  1  0.138  0.989  0.801  1.0
  O  O14  1  0.708  0.006  0.481  1.0
  O  O15  1  0.292  0.994  0.519  1.0
  O  O16  1  0.175  0.637  0.554  1.0
  O  O17  1  0.825  0.363  0.446  1.0
  O  O18  1  0.479  0.827  0.007  1.0
  O  O19  1  0.521  0.173  0.993  1.0
  O  O20  1  0.042  0.308  0.088  1.0
  O  O21  1  0.958  0.692  0.912  1.0
  O  O22  1  0.386  0.176  0.258  1.0
  O  O23  1  0.614  0.824  0.742  1.0
[/CIF]
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The crystal structure described by CeCu(WO4)2 crystallizes in the triclinic P-1 space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(8), and two equivalent O(6) atoms. Cu(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one W(2) atom. In the sixth O site, O(6) is bonded to one W(1), two equivalent W(2), and one Cu(1) atom to form distorted edge-sharing OCuW3 tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ce(1), one W(1), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_CeCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.269
_cell_length_b   7.469
_cell_length_c   7.627
_cell_angle_alpha   113.964
_cell_angle_beta   116.235
_cell_angle_gamma   91.222
_symmetry_Int_Tables_number   1
_cell_volume   329.095
_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
  Ce  Ce0  1  0.185  0.288  0.465  1.0
  Ce  Ce1  1  0.815  0.712  0.535  1.0
  Cu  Cu2  1  0.242  0.676  0.991  1.0
  Cu  Cu3  1  0.758  0.324  0.009  1.0
  W  W4  1  0.264  0.294  0.033  1.0
  W  W5  1  0.736  0.706  0.967  1.0
  W  W6  1  0.650  0.104  0.288  1.0
  W  W7  1  0.350  0.896  0.712  1.0
  O  O8  1  0.190  0.356  0.802  1.0
  O  O9  1  0.810  0.644  0.198  1.0
  O  O10  1  0.457  0.538  0.256  1.0
  O  O11  1  0.543  0.462  0.744  1.0
  O  O12  1  0.862  0.011  0.199  1.0
  O  O13  1  0.138  0.989  0.801  1.0
  O  O14  1  0.708  0.006  0.481  1.0
  O  O15  1  0.292  0.994  0.519  1.0
  O  O16  1  0.175  0.637  0.554  1.0
  O  O17  1  0.825  0.363  0.446  1.0
  O  O18  1  0.479  0.827  0.007  1.0
  O  O19  1  0.521  0.173  0.993  1.0
  O  O20  1  0.042  0.308  0.088  1.0
  O  O21  1  0.958  0.692  0.912  1.0
  O  O22  1  0.386  0.176  0.258  1.0
  O  O23  1  0.614  0.824  0.742  1.0
[/CIF]
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