The material structure described by LiBa2TmCu3O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(6) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(7) and four equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(7), and four equivalent O(2) atoms. Tm(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(2), one O(6), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Tm(1), and two equivalent Cu(2) atoms to form distorted OLiTm2Cu2 trigonal bipyramids that share corners with four equivalent O(5)Ba2Tm2Cu2 octahedra and corners with four equivalent O(1)LiTm2Cu2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share corners with four equivalent O(5)Ba2Tm2Cu2 octahedra, corners with four equivalent O(2)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba4Cu2 octahedra, edges with four equivalent O(2)Ba4Cu2 octahedra, faces with two equivalent O(5)Ba2Tm2Cu2 octahedra, and faces with two equivalent O(7)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 17-71°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Tm(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to two equivalent Tm(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(2), two equivalent Tm(1), and two equivalent Cu(1) atoms to form distorted OBa2Tm2Cu2 octahedra that share corners with two equivalent O(5)Ba2Tm2Cu2 octahedra, corners with two equivalent O(7)Ba4Cu2 octahedra, corners with four equivalent O(2)Ba4Cu2 octahedra, corners with four equivalent O(1)LiTm2Cu2 trigonal bipyramids,  an edgeedge with one O(7)Ba4Cu2 octahedra, edges with two equivalent O(5)Ba2Tm2Cu2 octahedra, and faces with two equivalent O(2)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Ba(1), and one Cu(3) atom. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(5)Ba2Tm2Cu2 octahedra, corners with two equivalent O(7)Ba4Cu2 octahedra, corners with four equivalent O(2)Ba4Cu2 octahedra,  an edgeedge with one O(5)Ba2Tm2Cu2 octahedra, edges with two equivalent O(7)Ba4Cu2 octahedra, and faces with two equivalent O(2)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. is represented by the CIF file [CIF]
data_Ba2LiTmCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.768
_cell_length_b   4.038
_cell_length_c   12.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.483
_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
  Ba  Ba0  1  0.500  0.500  0.112  1.0
  Ba  Ba1  1  0.500  0.500  0.800  1.0
  Li  Li2  1  0.500  0.000  0.266  1.0
  Tm  Tm3  1  0.500  0.500  0.512  1.0
  Cu  Cu4  1  0.000  0.000  0.642  1.0
  Cu  Cu5  1  0.000  0.000  0.404  1.0
  Cu  Cu6  1  0.000  0.000  0.977  1.0
  O  O7  1  0.500  0.000  0.408  1.0
  O  O8  1  0.000  0.000  0.831  1.0
  O  O9  1  0.500  0.000  0.619  1.0
  O  O10  1  0.000  0.500  0.407  1.0
  O  O11  1  0.000  0.500  0.627  1.0
  O  O12  1  0.000  0.000  0.144  1.0
  O  O13  1  0.000  0.500  0.975  1.0
[/CIF]
.
The material structure described by LiBa2TmCu3O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(6) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(7) and four equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(7), and four equivalent O(2) atoms. Tm(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(2), one O(6), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Tm(1), and two equivalent Cu(2) atoms to form distorted OLiTm2Cu2 trigonal bipyramids that share corners with four equivalent O(5)Ba2Tm2Cu2 octahedra and corners with four equivalent O(1)LiTm2Cu2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share corners with four equivalent O(5)Ba2Tm2Cu2 octahedra, corners with four equivalent O(2)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba4Cu2 octahedra, edges with four equivalent O(2)Ba4Cu2 octahedra, faces with two equivalent O(5)Ba2Tm2Cu2 octahedra, and faces with two equivalent O(7)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 17-71°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Tm(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to two equivalent Tm(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(2), two equivalent Tm(1), and two equivalent Cu(1) atoms to form distorted OBa2Tm2Cu2 octahedra that share corners with two equivalent O(5)Ba2Tm2Cu2 octahedra, corners with two equivalent O(7)Ba4Cu2 octahedra, corners with four equivalent O(2)Ba4Cu2 octahedra, corners with four equivalent O(1)LiTm2Cu2 trigonal bipyramids,  an edgeedge with one O(7)Ba4Cu2 octahedra, edges with two equivalent O(5)Ba2Tm2Cu2 octahedra, and faces with two equivalent O(2)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Ba(1), and one Cu(3) atom. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(5)Ba2Tm2Cu2 octahedra, corners with two equivalent O(7)Ba4Cu2 octahedra, corners with four equivalent O(2)Ba4Cu2 octahedra,  an edgeedge with one O(5)Ba2Tm2Cu2 octahedra, edges with two equivalent O(7)Ba4Cu2 octahedra, and faces with two equivalent O(2)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. is represented by the CIF file [CIF]
data_Ba2LiTmCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.768
_cell_length_b   4.038
_cell_length_c   12.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.483
_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
  Ba  Ba0  1  0.500  0.500  0.112  1.0
  Ba  Ba1  1  0.500  0.500  0.800  1.0
  Li  Li2  1  0.500  0.000  0.266  1.0
  Tm  Tm3  1  0.500  0.500  0.512  1.0
  Cu  Cu4  1  0.000  0.000  0.642  1.0
  Cu  Cu5  1  0.000  0.000  0.404  1.0
  Cu  Cu6  1  0.000  0.000  0.977  1.0
  O  O7  1  0.500  0.000  0.408  1.0
  O  O8  1  0.000  0.000  0.831  1.0
  O  O9  1  0.500  0.000  0.619  1.0
  O  O10  1  0.000  0.500  0.407  1.0
  O  O11  1  0.000  0.500  0.627  1.0
  O  O12  1  0.000  0.000  0.144  1.0
  O  O13  1  0.000  0.500  0.975  1.0
[/CIF]
.