The material structure described by LiSr4Sm2Ta2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(5), and one O(6) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(6), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form SmO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the second Sm site, Sm(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted SmO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the second Ta site, Ta(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(3), one Sm(1), and one Ta(1) atom to form distorted corner-sharing OSr2SmTa tetrahedra. In the second O site, O(2) is bonded to one Sr(2), one Sr(4), one Sm(1), and one Ta(1) atom to form distorted corner-sharing OSr2SmTa tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Sr(3), one Sm(2), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Sr(2), one Sr(4), one Sm(2), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Sr(3), one Sm(2), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Sr(2), one Sr(4), one Sm(2), and one Ta(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(1), and one Ta(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Sm(1), and one Ta(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(2), and one Ta(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), one Sr(4), one Sm(2), and one Ta(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sm(1), and one Ta(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sm(1), and one Ta(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4LiSm2Ta2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.939
_cell_length_b   6.050
_cell_length_c   8.489
_cell_angle_alpha   90.689
_cell_angle_beta   88.203
_cell_angle_gamma   89.932
_symmetry_Int_Tables_number   1
_cell_volume   304.869
_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
  Sr  Sr0  1  0.026  0.429  0.292  1.0
  Sr  Sr1  1  0.997  0.542  0.729  1.0
  Sr  Sr2  1  0.502  0.955  0.247  1.0
  Sr  Sr3  1  0.502  0.037  0.746  1.0
  Li  Li4  1  0.868  0.601  0.052  1.0
  Sm  Sm5  1  0.005  0.989  0.501  1.0
  Sm  Sm6  1  0.461  0.498  0.995  1.0
  Ta  Ta7  1  0.992  0.020  0.999  1.0
  Ta  Ta8  1  0.511  0.496  0.497  1.0
  O  O9  1  0.917  0.032  0.234  1.0
  O  O10  1  0.078  0.976  0.769  1.0
  O  O11  1  0.598  0.532  0.260  1.0
  O  O12  1  0.417  0.465  0.731  1.0
  O  O13  1  0.151  0.714  0.045  1.0
  O  O14  1  0.825  0.306  0.961  1.0
  O  O15  1  0.321  0.222  0.452  1.0
  O  O16  1  0.695  0.766  0.550  1.0
  O  O17  1  0.282  0.175  0.042  1.0
  O  O18  1  0.705  0.826  0.966  1.0
  O  O19  1  0.234  0.684  0.466  1.0
  O  O20  1  0.787  0.307  0.536  1.0
[/CIF]
.
The material structure described by LiSr4Sm2Ta2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(5), and one O(6) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(6), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form SmO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the second Sm site, Sm(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted SmO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the second Ta site, Ta(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(3), one Sm(1), and one Ta(1) atom to form distorted corner-sharing OSr2SmTa tetrahedra. In the second O site, O(2) is bonded to one Sr(2), one Sr(4), one Sm(1), and one Ta(1) atom to form distorted corner-sharing OSr2SmTa tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Sr(3), one Sm(2), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Sr(2), one Sr(4), one Sm(2), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Sr(3), one Sm(2), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Sr(2), one Sr(4), one Sm(2), and one Ta(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(1), and one Ta(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Sm(1), and one Ta(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(2), and one Ta(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Sr(3), one Sr(4), one Sm(2), and one Ta(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sm(1), and one Ta(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sm(1), and one Ta(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4LiSm2Ta2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.939
_cell_length_b   6.050
_cell_length_c   8.489
_cell_angle_alpha   90.689
_cell_angle_beta   88.203
_cell_angle_gamma   89.932
_symmetry_Int_Tables_number   1
_cell_volume   304.869
_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
  Sr  Sr0  1  0.026  0.429  0.292  1.0
  Sr  Sr1  1  0.997  0.542  0.729  1.0
  Sr  Sr2  1  0.502  0.955  0.247  1.0
  Sr  Sr3  1  0.502  0.037  0.746  1.0
  Li  Li4  1  0.868  0.601  0.052  1.0
  Sm  Sm5  1  0.005  0.989  0.501  1.0
  Sm  Sm6  1  0.461  0.498  0.995  1.0
  Ta  Ta7  1  0.992  0.020  0.999  1.0
  Ta  Ta8  1  0.511  0.496  0.497  1.0
  O  O9  1  0.917  0.032  0.234  1.0
  O  O10  1  0.078  0.976  0.769  1.0
  O  O11  1  0.598  0.532  0.260  1.0
  O  O12  1  0.417  0.465  0.731  1.0
  O  O13  1  0.151  0.714  0.045  1.0
  O  O14  1  0.825  0.306  0.961  1.0
  O  O15  1  0.321  0.222  0.452  1.0
  O  O16  1  0.695  0.766  0.550  1.0
  O  O17  1  0.282  0.175  0.042  1.0
  O  O18  1  0.705  0.826  0.966  1.0
  O  O19  1  0.234  0.684  0.466  1.0
  O  O20  1  0.787  0.307  0.536  1.0
[/CIF]
.