The material structure described by LiTm4Sm4O12 crystallizes in the monoclinic Pm space group. Li(1) is bonded to one Sm(1), one O(4), one O(8), and two equivalent O(7) atoms to form LiSmO4 tetrahedra that share corners with four equivalent Tm(1)O6 octahedra,  a cornercorner with one O(8)LiSm2Tm2 trigonal bipyramid, corners with two equivalent O(3)Sm3Tm2 trigonal pyramids, and edges with two equivalent Tm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-65°. There are two inequivalent Tm sites. In the first Tm site, Tm(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 TmO6 octahedra that share corners with two equivalent Tm(1)O6 octahedra, corners with four equivalent Tm(2)O6 octahedra, and corners with two equivalent Li(1)SmO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-50°. In the second Tm site, Tm(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted TmO6 octahedra that share corners with two equivalent Tm(2)O6 octahedra, corners with four equivalent Tm(1)O6 octahedra, and  an edgeedge with one Li(1)SmO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-67°. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Li(1), one O(4), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(4), one O(8), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. In the fourth Sm site, Sm(4) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), one Sm(2), and one Sm(4) atom to form distorted OSm2Tm2 trigonal pyramids that share corners with two equivalent O(5)Sm2Tm2 tetrahedra, corners with two equivalent O(8)LiSm2Tm2 trigonal bipyramids, and edges with two equivalent O(3)Sm3Tm2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(2), one Sm(1), one Sm(2), and one Sm(4) atom. In the third O site, O(3) is bonded to one Tm(1), one Tm(2), one Sm(1), one Sm(2), and one Sm(3) atom to form distorted OSm3Tm2 trigonal pyramids that share  a cornercorner with one Li(1)SmO4 tetrahedra, corners with three equivalent O(8)LiSm2Tm2 trigonal bipyramids,  a cornercorner with one O(3)Sm3Tm2 trigonal pyramid,  an edgeedge with one O(5)Sm2Tm2 tetrahedra,  an edgeedge with one O(1)Sm2Tm2 trigonal pyramid, and  an edgeedge with one O(3)Sm3Tm2 trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Tm(2), one Sm(1), and one Sm(3) atom. In the fifth O site, O(5) is bonded to two equivalent Tm(2), one Sm(2), and one Sm(4) atom to form OSm2Tm2 tetrahedra that share corners with two equivalent O(1)Sm2Tm2 trigonal pyramids and edges with two equivalent O(3)Sm3Tm2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Tm(1), one Tm(2), one Sm(2), and one Sm(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Tm(1), one Tm(2), one Sm(1), and one Sm(3) atom. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Tm(1), one Sm(1), and one Sm(3) atom to form distorted OLiSm2Tm2 trigonal bipyramids that share  a cornercorner with one Li(1)SmO4 tetrahedra, corners with two equivalent O(1)Sm2Tm2 trigonal pyramids, and corners with six equivalent O(3)Sm3Tm2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4Tm4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   8.316
_cell_length_c   5.686
_cell_angle_alpha   90.000
_cell_angle_beta   91.483
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.324
_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  0.723  0.250  0.051  1.0
  Sm  Sm1  1  0.109  0.250  0.969  1.0
  Sm  Sm2  1  0.424  0.750  0.456  1.0
  Sm  Sm3  1  0.545  0.250  0.526  1.0
  Sm  Sm4  1  0.969  0.750  0.994  1.0
  Tm  Tm5  1  0.977  0.005  0.491  1.0
  Tm  Tm6  1  0.977  0.495  0.491  1.0
  Tm  Tm7  1  0.492  0.971  0.986  1.0
  Tm  Tm8  1  0.492  0.529  0.986  1.0
  O  O9  1  0.066  0.750  0.615  1.0
  O  O10  1  0.170  0.550  0.176  1.0
  O  O11  1  0.170  0.950  0.176  1.0
  O  O12  1  0.291  0.425  0.689  1.0
  O  O13  1  0.291  0.075  0.689  1.0
  O  O14  1  0.446  0.250  0.132  1.0
  O  O15  1  0.612  0.750  0.818  1.0
  O  O16  1  0.665  0.942  0.321  1.0
  O  O17  1  0.665  0.558  0.321  1.0
  O  O18  1  0.797  0.083  0.816  1.0
  O  O19  1  0.797  0.417  0.816  1.0
  O  O20  1  0.913  0.250  0.335  1.0
[/CIF]
.
The material structure described by LiTm4Sm4O12 crystallizes in the monoclinic Pm space group. Li(1) is bonded to one Sm(1), one O(4), one O(8), and two equivalent O(7) atoms to form LiSmO4 tetrahedra that share corners with four equivalent Tm(1)O6 octahedra,  a cornercorner with one O(8)LiSm2Tm2 trigonal bipyramid, corners with two equivalent O(3)Sm3Tm2 trigonal pyramids, and edges with two equivalent Tm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-65°. There are two inequivalent Tm sites. In the first Tm site, Tm(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 TmO6 octahedra that share corners with two equivalent Tm(1)O6 octahedra, corners with four equivalent Tm(2)O6 octahedra, and corners with two equivalent Li(1)SmO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-50°. In the second Tm site, Tm(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted TmO6 octahedra that share corners with two equivalent Tm(2)O6 octahedra, corners with four equivalent Tm(1)O6 octahedra, and  an edgeedge with one Li(1)SmO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-67°. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Li(1), one O(4), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(4), one O(8), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. In the fourth Sm site, Sm(4) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), one Sm(2), and one Sm(4) atom to form distorted OSm2Tm2 trigonal pyramids that share corners with two equivalent O(5)Sm2Tm2 tetrahedra, corners with two equivalent O(8)LiSm2Tm2 trigonal bipyramids, and edges with two equivalent O(3)Sm3Tm2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(2), one Sm(1), one Sm(2), and one Sm(4) atom. In the third O site, O(3) is bonded to one Tm(1), one Tm(2), one Sm(1), one Sm(2), and one Sm(3) atom to form distorted OSm3Tm2 trigonal pyramids that share  a cornercorner with one Li(1)SmO4 tetrahedra, corners with three equivalent O(8)LiSm2Tm2 trigonal bipyramids,  a cornercorner with one O(3)Sm3Tm2 trigonal pyramid,  an edgeedge with one O(5)Sm2Tm2 tetrahedra,  an edgeedge with one O(1)Sm2Tm2 trigonal pyramid, and  an edgeedge with one O(3)Sm3Tm2 trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Tm(2), one Sm(1), and one Sm(3) atom. In the fifth O site, O(5) is bonded to two equivalent Tm(2), one Sm(2), and one Sm(4) atom to form OSm2Tm2 tetrahedra that share corners with two equivalent O(1)Sm2Tm2 trigonal pyramids and edges with two equivalent O(3)Sm3Tm2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Tm(1), one Tm(2), one Sm(2), and one Sm(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Tm(1), one Tm(2), one Sm(1), and one Sm(3) atom. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Tm(1), one Sm(1), and one Sm(3) atom to form distorted OLiSm2Tm2 trigonal bipyramids that share  a cornercorner with one Li(1)SmO4 tetrahedra, corners with two equivalent O(1)Sm2Tm2 trigonal pyramids, and corners with six equivalent O(3)Sm3Tm2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4Tm4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   8.316
_cell_length_c   5.686
_cell_angle_alpha   90.000
_cell_angle_beta   91.483
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.324
_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  0.723  0.250  0.051  1.0
  Sm  Sm1  1  0.109  0.250  0.969  1.0
  Sm  Sm2  1  0.424  0.750  0.456  1.0
  Sm  Sm3  1  0.545  0.250  0.526  1.0
  Sm  Sm4  1  0.969  0.750  0.994  1.0
  Tm  Tm5  1  0.977  0.005  0.491  1.0
  Tm  Tm6  1  0.977  0.495  0.491  1.0
  Tm  Tm7  1  0.492  0.971  0.986  1.0
  Tm  Tm8  1  0.492  0.529  0.986  1.0
  O  O9  1  0.066  0.750  0.615  1.0
  O  O10  1  0.170  0.550  0.176  1.0
  O  O11  1  0.170  0.950  0.176  1.0
  O  O12  1  0.291  0.425  0.689  1.0
  O  O13  1  0.291  0.075  0.689  1.0
  O  O14  1  0.446  0.250  0.132  1.0
  O  O15  1  0.612  0.750  0.818  1.0
  O  O16  1  0.665  0.942  0.321  1.0
  O  O17  1  0.665  0.558  0.321  1.0
  O  O18  1  0.797  0.083  0.816  1.0
  O  O19  1  0.797  0.417  0.816  1.0
  O  O20  1  0.913  0.250  0.335  1.0
[/CIF]
.