The compound described by SmCu(WO4)2 crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(8), and two equivalent O(4) 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(5), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(8), and two equivalent O(6) atoms. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sm(1) and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sm(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 Sm(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one W(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 distorted trigonal non-coplanar geometry to one Sm(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sm(1) and one W(2) atom. is represented by the CIF card [CIF]
data_SmCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.456
_cell_length_c   7.561
_cell_angle_alpha   114.370
_cell_angle_beta   115.521
_cell_angle_gamma   91.901
_symmetry_Int_Tables_number   1
_cell_volume   325.896
_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
  Sm  Sm0  1  0.183  0.285  0.460  1.0
  Sm  Sm1  1  0.817  0.715  0.540  1.0
  Cu  Cu2  1  0.777  0.328  0.042  1.0
  Cu  Cu3  1  0.223  0.672  0.958  1.0
  W  W4  1  0.728  0.704  0.962  1.0
  W  W5  1  0.352  0.896  0.706  1.0
  W  W6  1  0.272  0.296  0.038  1.0
  W  W7  1  0.648  0.104  0.294  1.0
  O  O8  1  0.533  0.465  0.733  1.0
  O  O9  1  0.467  0.535  0.267  1.0
  O  O10  1  0.055  0.310  0.103  1.0
  O  O11  1  0.945  0.690  0.897  1.0
  O  O12  1  0.195  0.360  0.808  1.0
  O  O13  1  0.805  0.640  0.192  1.0
  O  O14  1  0.826  0.363  0.451  1.0
  O  O15  1  0.174  0.637  0.549  1.0
  O  O16  1  0.613  0.829  0.737  1.0
  O  O17  1  0.387  0.171  0.263  1.0
  O  O18  1  0.478  0.826  0.005  1.0
  O  O19  1  0.522  0.174  0.995  1.0
  O  O20  1  0.141  0.990  0.800  1.0
  O  O21  1  0.859  0.010  0.200  1.0
  O  O22  1  0.289  0.995  0.513  1.0
  O  O23  1  0.711  0.005  0.487  1.0
[/CIF]
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The compound described by SmCu(WO4)2 crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(8), and two equivalent O(4) 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(5), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(8), and two equivalent O(6) atoms. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sm(1) and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sm(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 Sm(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one W(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 distorted trigonal non-coplanar geometry to one Sm(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sm(1) and one W(2) atom. is represented by the CIF card [CIF]
data_SmCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.456
_cell_length_c   7.561
_cell_angle_alpha   114.370
_cell_angle_beta   115.521
_cell_angle_gamma   91.901
_symmetry_Int_Tables_number   1
_cell_volume   325.896
_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
  Sm  Sm0  1  0.183  0.285  0.460  1.0
  Sm  Sm1  1  0.817  0.715  0.540  1.0
  Cu  Cu2  1  0.777  0.328  0.042  1.0
  Cu  Cu3  1  0.223  0.672  0.958  1.0
  W  W4  1  0.728  0.704  0.962  1.0
  W  W5  1  0.352  0.896  0.706  1.0
  W  W6  1  0.272  0.296  0.038  1.0
  W  W7  1  0.648  0.104  0.294  1.0
  O  O8  1  0.533  0.465  0.733  1.0
  O  O9  1  0.467  0.535  0.267  1.0
  O  O10  1  0.055  0.310  0.103  1.0
  O  O11  1  0.945  0.690  0.897  1.0
  O  O12  1  0.195  0.360  0.808  1.0
  O  O13  1  0.805  0.640  0.192  1.0
  O  O14  1  0.826  0.363  0.451  1.0
  O  O15  1  0.174  0.637  0.549  1.0
  O  O16  1  0.613  0.829  0.737  1.0
  O  O17  1  0.387  0.171  0.263  1.0
  O  O18  1  0.478  0.826  0.005  1.0
  O  O19  1  0.522  0.174  0.995  1.0
  O  O20  1  0.141  0.990  0.800  1.0
  O  O21  1  0.859  0.010  0.200  1.0
  O  O22  1  0.289  0.995  0.513  1.0
  O  O23  1  0.711  0.005  0.487  1.0
[/CIF]
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