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(6), one O(8), and two equivalent O(4) atoms. 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 three equivalent Cu(1)O4 tetrahedra. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. Cu(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form distorted CuO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-84°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sm(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(1) and one W(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 planar geometry to one Sm(1), one W(2), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one W(1), and one W(2) atom. In the seventh O site, O(7) is bonded to one W(1), two equivalent W(2), and one Cu(1) atom to form distorted edge-sharing OCuW3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_SmCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.401
_cell_length_c   7.418
_cell_angle_alpha   114.085
_cell_angle_beta   116.379
_cell_angle_gamma   90.614
_symmetry_Int_Tables_number   1
_cell_volume   315.566
_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  0.825  0.716  0.559  1.0
  Sm  Sm1  1  0.175  0.284  0.441  1.0
  Cu  Cu2  1  0.262  0.720  0.134  1.0
  Cu  Cu3  1  0.738  0.280  0.866  1.0
  W  W4  1  0.737  0.701  0.983  1.0
  W  W5  1  0.263  0.299  0.017  1.0
  W  W6  1  0.350  0.888  0.706  1.0
  W  W7  1  0.650  0.112  0.294  1.0
  O  O8  1  0.447  0.554  0.248  1.0
  O  O9  1  0.553  0.446  0.752  1.0
  O  O10  1  0.969  0.702  0.933  1.0
  O  O11  1  0.031  0.298  0.067  1.0
  O  O12  1  0.818  0.664  0.231  1.0
  O  O13  1  0.182  0.336  0.769  1.0
  O  O14  1  0.180  0.629  0.555  1.0
  O  O15  1  0.820  0.371  0.445  1.0
  O  O16  1  0.288  0.963  0.485  1.0
  O  O17  1  0.712  0.037  0.515  1.0
  O  O18  1  0.136  0.985  0.792  1.0
  O  O19  1  0.864  0.015  0.208  1.0
  O  O20  1  0.484  0.830  0.020  1.0
  O  O21  1  0.516  0.170  0.980  1.0
  O  O22  1  0.614  0.812  0.740  1.0
  O  O23  1  0.386  0.188  0.260  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(6), one O(8), and two equivalent O(4) atoms. 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 three equivalent Cu(1)O4 tetrahedra. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. Cu(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form distorted CuO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-84°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sm(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(1) and one W(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 planar geometry to one Sm(1), one W(2), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one W(1), and one W(2) atom. In the seventh O site, O(7) is bonded to one W(1), two equivalent W(2), and one Cu(1) atom to form distorted edge-sharing OCuW3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_SmCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.401
_cell_length_c   7.418
_cell_angle_alpha   114.085
_cell_angle_beta   116.379
_cell_angle_gamma   90.614
_symmetry_Int_Tables_number   1
_cell_volume   315.566
_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  0.825  0.716  0.559  1.0
  Sm  Sm1  1  0.175  0.284  0.441  1.0
  Cu  Cu2  1  0.262  0.720  0.134  1.0
  Cu  Cu3  1  0.738  0.280  0.866  1.0
  W  W4  1  0.737  0.701  0.983  1.0
  W  W5  1  0.263  0.299  0.017  1.0
  W  W6  1  0.350  0.888  0.706  1.0
  W  W7  1  0.650  0.112  0.294  1.0
  O  O8  1  0.447  0.554  0.248  1.0
  O  O9  1  0.553  0.446  0.752  1.0
  O  O10  1  0.969  0.702  0.933  1.0
  O  O11  1  0.031  0.298  0.067  1.0
  O  O12  1  0.818  0.664  0.231  1.0
  O  O13  1  0.182  0.336  0.769  1.0
  O  O14  1  0.180  0.629  0.555  1.0
  O  O15  1  0.820  0.371  0.445  1.0
  O  O16  1  0.288  0.963  0.485  1.0
  O  O17  1  0.712  0.037  0.515  1.0
  O  O18  1  0.136  0.985  0.792  1.0
  O  O19  1  0.864  0.015  0.208  1.0
  O  O20  1  0.484  0.830  0.020  1.0
  O  O21  1  0.516  0.170  0.980  1.0
  O  O22  1  0.614  0.812  0.740  1.0
  O  O23  1  0.386  0.188  0.260  1.0
[/CIF]
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