The material structure described by LiSm4V4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one Sm(2), one V(1), one O(12), one O(2), one O(4), and one O(9) atom to form distorted LiSmVO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one O(5)Sm3V2 trigonal bipyramid,  a cornercorner with one O(10)Sm2V2 trigonal pyramid, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-70°. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one Li(1), one O(1), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Li(1)SmVO4 tetrahedra, and  an edgeedge with one Li(1)SmVO4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent V(4)O6 octahedra and  a cornercorner with one Li(1)SmVO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-37°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and  a cornercorner with one Li(1)SmVO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Sm(4), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Sm(3), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(4), one V(3), and one V(4) atom to form distorted OSm3V2 trigonal bipyramids that share  a cornercorner with one Li(1)SmVO4 tetrahedra,  a cornercorner with one O(11)Sm2V2 trigonal pyramid, corners with three equivalent O(10)Sm2V2 trigonal pyramids, and  an edgeedge with one O(11)Sm2V2 trigonal pyramid. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded to one Sm(1), one Sm(4), one V(1), and one V(3) atom to form distorted OSm2V2 trigonal pyramids that share  a cornercorner with one Li(1)SmVO4 tetrahedra, corners with three equivalent O(5)Sm3V2 trigonal bipyramids, and corners with two equivalent O(11)Sm2V2 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(4), one V(2), and one V(4) atom to form distorted OSm2V2 trigonal pyramids that share  a cornercorner with one O(5)Sm3V2 trigonal bipyramid, corners with two equivalent O(10)Sm2V2 trigonal pyramids, and  an edgeedge with one O(5)Sm3V2 trigonal bipyramid. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one V(2), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4V4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.932
_cell_length_c   7.825
_cell_angle_alpha   90.916
_cell_angle_beta   90.113
_cell_angle_gamma   88.590
_symmetry_Int_Tables_number   1
_cell_volume   251.235
_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  0.863  0.259  0.354  1.0
  Sm  Sm1  1  0.985  0.429  0.748  1.0
  Sm  Sm2  1  0.034  0.608  0.234  1.0
  Sm  Sm3  1  0.448  0.072  0.250  1.0
  Sm  Sm4  1  0.528  0.925  0.749  1.0
  V  V5  1  0.004  0.973  0.517  1.0
  V  V6  1  0.495  0.498  0.500  1.0
  V  V7  1  0.996  0.012  0.996  1.0
  V  V8  1  0.507  0.499  0.998  1.0
  O  O9  1  0.317  0.788  0.436  1.0
  O  O10  1  0.682  0.196  0.553  1.0
  O  O11  1  0.799  0.679  0.557  1.0
  O  O12  1  0.183  0.312  0.439  1.0
  O  O13  1  0.806  0.698  0.946  1.0
  O  O14  1  0.199  0.312  0.058  1.0
  O  O15  1  0.303  0.808  0.055  1.0
  O  O16  1  0.698  0.200  0.937  1.0
  O  O17  1  0.884  0.977  0.246  1.0
  O  O18  1  0.120  0.042  0.762  1.0
  O  O19  1  0.389  0.542  0.754  1.0
  O  O20  1  0.629  0.450  0.246  1.0
[/CIF]
.
The material structure described by LiSm4V4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one Sm(2), one V(1), one O(12), one O(2), one O(4), and one O(9) atom to form distorted LiSmVO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one O(5)Sm3V2 trigonal bipyramid,  a cornercorner with one O(10)Sm2V2 trigonal pyramid, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-70°. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one Li(1), one O(1), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Li(1)SmVO4 tetrahedra, and  an edgeedge with one Li(1)SmVO4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent V(4)O6 octahedra and  a cornercorner with one Li(1)SmVO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-37°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and  a cornercorner with one Li(1)SmVO4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Sm(4), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Sm(3), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(4), one V(3), and one V(4) atom to form distorted OSm3V2 trigonal bipyramids that share  a cornercorner with one Li(1)SmVO4 tetrahedra,  a cornercorner with one O(11)Sm2V2 trigonal pyramid, corners with three equivalent O(10)Sm2V2 trigonal pyramids, and  an edgeedge with one O(11)Sm2V2 trigonal pyramid. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded to one Sm(1), one Sm(4), one V(1), and one V(3) atom to form distorted OSm2V2 trigonal pyramids that share  a cornercorner with one Li(1)SmVO4 tetrahedra, corners with three equivalent O(5)Sm3V2 trigonal bipyramids, and corners with two equivalent O(11)Sm2V2 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(4), one V(2), and one V(4) atom to form distorted OSm2V2 trigonal pyramids that share  a cornercorner with one O(5)Sm3V2 trigonal bipyramid, corners with two equivalent O(10)Sm2V2 trigonal pyramids, and  an edgeedge with one O(5)Sm3V2 trigonal bipyramid. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one V(2), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4V4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.932
_cell_length_c   7.825
_cell_angle_alpha   90.916
_cell_angle_beta   90.113
_cell_angle_gamma   88.590
_symmetry_Int_Tables_number   1
_cell_volume   251.235
_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  0.863  0.259  0.354  1.0
  Sm  Sm1  1  0.985  0.429  0.748  1.0
  Sm  Sm2  1  0.034  0.608  0.234  1.0
  Sm  Sm3  1  0.448  0.072  0.250  1.0
  Sm  Sm4  1  0.528  0.925  0.749  1.0
  V  V5  1  0.004  0.973  0.517  1.0
  V  V6  1  0.495  0.498  0.500  1.0
  V  V7  1  0.996  0.012  0.996  1.0
  V  V8  1  0.507  0.499  0.998  1.0
  O  O9  1  0.317  0.788  0.436  1.0
  O  O10  1  0.682  0.196  0.553  1.0
  O  O11  1  0.799  0.679  0.557  1.0
  O  O12  1  0.183  0.312  0.439  1.0
  O  O13  1  0.806  0.698  0.946  1.0
  O  O14  1  0.199  0.312  0.058  1.0
  O  O15  1  0.303  0.808  0.055  1.0
  O  O16  1  0.698  0.200  0.937  1.0
  O  O17  1  0.884  0.977  0.246  1.0
  O  O18  1  0.120  0.042  0.762  1.0
  O  O19  1  0.389  0.542  0.754  1.0
  O  O20  1  0.629  0.450  0.246  1.0
[/CIF]
.