The structure described by LiSm4(Mo2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(4), and one O(8) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(5), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the third Sm site, Sm(3) is bonded to one O(10), one O(11), one O(14), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form distorted SmO8 hexagonal bipyramids that share edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. In the fourth Sm site, Sm(4) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(13), one O(14), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Sm(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-57°. In the second Mo site, Mo(2) is bonded to one O(1), one O(12), one O(13), one O(2), one O(3), and one O(7) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third Mo site, Mo(3) is bonded to one O(1), one O(12), one O(14), one O(4), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Sm(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-59°. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Sm(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-58°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom. In the third O site, O(3) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(12)Sm2Mo2 tetrahedra, corners with two equivalent O(9)Sm2Mo2 tetrahedra, corners with two equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(7)Sm2Mo2 tetrahedra, and  an edgeedge with one O(11)LiSm4 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with two equivalent O(12)Sm2Mo2 tetrahedra, corners with two equivalent O(3)Sm2Mo2 tetrahedra, corners with two equivalent O(9)Sm2Mo2 tetrahedra, corners with four equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra, and  an edgeedge with one O(7)Sm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(12)Sm2Mo2 tetrahedra,  an edgeedge with one O(3)Sm2Mo2 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom. In the ninth O site, O(9) is bonded to one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(12)Sm2Mo2 tetrahedra, corners with two equivalent O(3)Sm2Mo2 tetrahedra, corners with two equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra, and  an edgeedge with one O(11)LiSm4 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(3)Sm2Mo2 tetrahedra,  an edgeedge with one O(9)Sm2Mo2 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eleventh O site, O(11) is bonded to one Li(1), one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form distorted OLiSm4 trigonal bipyramids that share corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with four equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(12)Sm2Mo2 tetrahedra,  an edgeedge with one O(3)Sm2Mo2 tetrahedra, and  an edgeedge with one O(9)Sm2Mo2 tetrahedra. In the twelfth O site, O(12) is bonded to one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(3)Sm2Mo2 tetrahedra, corners with two equivalent O(9)Sm2Mo2 tetrahedra, corners with two equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra,  an edgeedge with one O(7)Sm2Mo2 tetrahedra, and  an edgeedge with one O(11)LiSm4 trigonal bipyramid. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded to one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(12)Sm2Mo2 tetrahedra,  an edgeedge with one O(9)Sm2Mo2 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.577
_cell_length_b   7.550
_cell_length_c   7.477
_cell_angle_alpha   59.700
_cell_angle_beta   59.821
_cell_angle_gamma   60.125
_symmetry_Int_Tables_number   1
_cell_volume   301.642
_cell_formula_units_Z   1
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  0.751  0.771  0.740  1.0
  Sm  Sm1  1  0.491  0.004  0.476  1.0
  Sm  Sm2  1  0.513  0.487  0.502  1.0
  Sm  Sm3  1  0.489  0.494  0.004  1.0
  Sm  Sm4  1  0.009  0.487  0.493  1.0
  Mo  Mo5  1  0.999  0.000  0.004  1.0
  Mo  Mo6  1  0.004  0.003  0.495  1.0
  Mo  Mo7  1  0.493  0.001  0.003  1.0
  Mo  Mo8  1  0.003  0.497  0.002  1.0
  O  O9  1  0.658  0.086  0.668  1.0
  O  O10  1  0.060  0.659  0.671  1.0
  O  O11  1  0.906  0.352  0.339  1.0
  O  O12  1  0.677  0.667  0.057  1.0
  O  O13  1  0.380  0.376  0.378  1.0
  O  O14  1  0.907  0.324  0.931  1.0
  O  O15  1  0.101  0.087  0.661  1.0
  O  O16  1  0.333  0.908  0.933  1.0
  O  O17  1  0.332  0.343  0.913  1.0
  O  O18  1  0.095  0.664  0.081  1.0
  O  O19  1  0.635  0.632  0.631  1.0
  O  O20  1  0.351  0.890  0.341  1.0
  O  O21  1  0.898  0.918  0.337  1.0
  O  O22  1  0.655  0.092  0.080  1.0
[/CIF]
.
The structure described by LiSm4(Mo2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(4), and one O(8) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(5), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the third Sm site, Sm(3) is bonded to one O(10), one O(11), one O(14), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form distorted SmO8 hexagonal bipyramids that share edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. In the fourth Sm site, Sm(4) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(13), one O(14), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Sm(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-57°. In the second Mo site, Mo(2) is bonded to one O(1), one O(12), one O(13), one O(2), one O(3), and one O(7) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third Mo site, Mo(3) is bonded to one O(1), one O(12), one O(14), one O(4), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Sm(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-59°. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Sm(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-58°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom. In the third O site, O(3) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(12)Sm2Mo2 tetrahedra, corners with two equivalent O(9)Sm2Mo2 tetrahedra, corners with two equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(7)Sm2Mo2 tetrahedra, and  an edgeedge with one O(11)LiSm4 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with two equivalent O(12)Sm2Mo2 tetrahedra, corners with two equivalent O(3)Sm2Mo2 tetrahedra, corners with two equivalent O(9)Sm2Mo2 tetrahedra, corners with four equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra, and  an edgeedge with one O(7)Sm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(12)Sm2Mo2 tetrahedra,  an edgeedge with one O(3)Sm2Mo2 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom. In the ninth O site, O(9) is bonded to one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(12)Sm2Mo2 tetrahedra, corners with two equivalent O(3)Sm2Mo2 tetrahedra, corners with two equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra, and  an edgeedge with one O(11)LiSm4 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(3)Sm2Mo2 tetrahedra,  an edgeedge with one O(9)Sm2Mo2 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eleventh O site, O(11) is bonded to one Li(1), one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form distorted OLiSm4 trigonal bipyramids that share corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with four equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(12)Sm2Mo2 tetrahedra,  an edgeedge with one O(3)Sm2Mo2 tetrahedra, and  an edgeedge with one O(9)Sm2Mo2 tetrahedra. In the twelfth O site, O(12) is bonded to one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(3)Sm2Mo2 tetrahedra, corners with two equivalent O(9)Sm2Mo2 tetrahedra, corners with two equivalent O(5)Sm4 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra,  an edgeedge with one O(7)Sm2Mo2 tetrahedra, and  an edgeedge with one O(11)LiSm4 trigonal bipyramid. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded to one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)LiSm4 trigonal bipyramids,  an edgeedge with one O(12)Sm2Mo2 tetrahedra,  an edgeedge with one O(9)Sm2Mo2 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.577
_cell_length_b   7.550
_cell_length_c   7.477
_cell_angle_alpha   59.700
_cell_angle_beta   59.821
_cell_angle_gamma   60.125
_symmetry_Int_Tables_number   1
_cell_volume   301.642
_cell_formula_units_Z   1
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  0.751  0.771  0.740  1.0
  Sm  Sm1  1  0.491  0.004  0.476  1.0
  Sm  Sm2  1  0.513  0.487  0.502  1.0
  Sm  Sm3  1  0.489  0.494  0.004  1.0
  Sm  Sm4  1  0.009  0.487  0.493  1.0
  Mo  Mo5  1  0.999  0.000  0.004  1.0
  Mo  Mo6  1  0.004  0.003  0.495  1.0
  Mo  Mo7  1  0.493  0.001  0.003  1.0
  Mo  Mo8  1  0.003  0.497  0.002  1.0
  O  O9  1  0.658  0.086  0.668  1.0
  O  O10  1  0.060  0.659  0.671  1.0
  O  O11  1  0.906  0.352  0.339  1.0
  O  O12  1  0.677  0.667  0.057  1.0
  O  O13  1  0.380  0.376  0.378  1.0
  O  O14  1  0.907  0.324  0.931  1.0
  O  O15  1  0.101  0.087  0.661  1.0
  O  O16  1  0.333  0.908  0.933  1.0
  O  O17  1  0.332  0.343  0.913  1.0
  O  O18  1  0.095  0.664  0.081  1.0
  O  O19  1  0.635  0.632  0.631  1.0
  O  O20  1  0.351  0.890  0.341  1.0
  O  O21  1  0.898  0.918  0.337  1.0
  O  O22  1  0.655  0.092  0.080  1.0
[/CIF]
.