The compound described by LiSm(WO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. Sm(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. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sm(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sm(1), and one W(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 W(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one W(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one W(1), and two equivalent W(2) atoms to form distorted edge-sharing OLiW3 tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Sm(1), and one W(1) atom. 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 card [CIF]
data_LiSm(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   7.419
_cell_length_c   7.479
_cell_angle_alpha   113.824
_cell_angle_beta   115.554
_cell_angle_gamma   91.665
_symmetry_Int_Tables_number   1
_cell_volume   318.885
_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
  Li  Li0  1  0.253  0.676  0.010  1.0
  Li  Li1  1  0.747  0.324  0.990  1.0
  Sm  Sm2  1  0.184  0.288  0.462  1.0
  Sm  Sm3  1  0.816  0.712  0.538  1.0
  W  W4  1  0.261  0.293  0.031  1.0
  W  W5  1  0.739  0.707  0.969  1.0
  W  W6  1  0.649  0.106  0.289  1.0
  W  W7  1  0.351  0.894  0.711  1.0
  O  O8  1  0.184  0.364  0.805  1.0
  O  O9  1  0.816  0.636  0.195  1.0
  O  O10  1  0.449  0.540  0.253  1.0
  O  O11  1  0.551  0.460  0.747  1.0
  O  O12  1  0.866  0.012  0.202  1.0
  O  O13  1  0.134  0.988  0.798  1.0
  O  O14  1  0.709  0.007  0.486  1.0
  O  O15  1  0.291  0.993  0.514  1.0
  O  O16  1  0.177  0.635  0.558  1.0
  O  O17  1  0.823  0.365  0.442  1.0
  O  O18  1  0.481  0.828  0.008  1.0
  O  O19  1  0.519  0.172  0.992  1.0
  O  O20  1  0.042  0.306  0.096  1.0
  O  O21  1  0.958  0.694  0.904  1.0
  O  O22  1  0.385  0.173  0.263  1.0
  O  O23  1  0.615  0.827  0.737  1.0
[/CIF]
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The compound described by LiSm(WO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. Sm(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. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sm(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sm(1), and one W(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 W(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one W(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one W(1), and two equivalent W(2) atoms to form distorted edge-sharing OLiW3 tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Sm(1), and one W(1) atom. 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 card [CIF]
data_LiSm(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   7.419
_cell_length_c   7.479
_cell_angle_alpha   113.824
_cell_angle_beta   115.554
_cell_angle_gamma   91.665
_symmetry_Int_Tables_number   1
_cell_volume   318.885
_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
  Li  Li0  1  0.253  0.676  0.010  1.0
  Li  Li1  1  0.747  0.324  0.990  1.0
  Sm  Sm2  1  0.184  0.288  0.462  1.0
  Sm  Sm3  1  0.816  0.712  0.538  1.0
  W  W4  1  0.261  0.293  0.031  1.0
  W  W5  1  0.739  0.707  0.969  1.0
  W  W6  1  0.649  0.106  0.289  1.0
  W  W7  1  0.351  0.894  0.711  1.0
  O  O8  1  0.184  0.364  0.805  1.0
  O  O9  1  0.816  0.636  0.195  1.0
  O  O10  1  0.449  0.540  0.253  1.0
  O  O11  1  0.551  0.460  0.747  1.0
  O  O12  1  0.866  0.012  0.202  1.0
  O  O13  1  0.134  0.988  0.798  1.0
  O  O14  1  0.709  0.007  0.486  1.0
  O  O15  1  0.291  0.993  0.514  1.0
  O  O16  1  0.177  0.635  0.558  1.0
  O  O17  1  0.823  0.365  0.442  1.0
  O  O18  1  0.481  0.828  0.008  1.0
  O  O19  1  0.519  0.172  0.992  1.0
  O  O20  1  0.042  0.306  0.096  1.0
  O  O21  1  0.958  0.694  0.904  1.0
  O  O22  1  0.385  0.173  0.263  1.0
  O  O23  1  0.615  0.827  0.737  1.0
[/CIF]
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