The structure described by LiBa2TmCu3O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Cu(3), and two equivalent O(6) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(1), two equivalent O(4), 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 trigonal bipyramids. 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 6-coordinate geometry to two equivalent Li(1), 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 two equivalent Ba(1), two equivalent Tm(1), and two equivalent Cu(2) atoms to form a mixture of distorted face, edge, and corner-sharing OBa2Tm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 8°. 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 to two equivalent Ba(1), two equivalent Tm(1), and two equivalent Cu(2) atoms to form a mixture of distorted face, edge, and corner-sharing OBa2Tm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Tm(1), and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded in a 3-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 in a distorted rectangular see-saw-like geometry to two equivalent Ba(2) and two equivalent Cu(3) atoms. is represented by the CIF card [CIF]
data_Ba2LiTmCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.775
_cell_length_b   4.006
_cell_length_c   12.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.314
_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  0.231  1.0
  Ba  Ba1  1  0.500  0.500  0.809  1.0
  Li  Li2  1  0.500  0.000  0.075  1.0
  Tm  Tm3  1  0.500  0.500  0.515  1.0
  Cu  Cu4  1  0.000  0.000  0.637  1.0
  Cu  Cu5  1  0.000  0.000  0.394  1.0
  Cu  Cu6  1  0.000  0.000  0.972  1.0
  O  O7  1  0.500  0.000  0.381  1.0
  O  O8  1  0.000  0.000  0.825  1.0
  O  O9  1  0.500  0.000  0.606  1.0
  O  O10  1  0.000  0.500  0.395  1.0
  O  O11  1  0.000  0.500  0.621  1.0
  O  O12  1  0.000  0.000  0.132  1.0
  O  O13  1  0.000  0.500  0.979  1.0
[/CIF]
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The structure described by LiBa2TmCu3O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Cu(3), and two equivalent O(6) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(1), two equivalent O(4), 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 trigonal bipyramids. 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 6-coordinate geometry to two equivalent Li(1), 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 two equivalent Ba(1), two equivalent Tm(1), and two equivalent Cu(2) atoms to form a mixture of distorted face, edge, and corner-sharing OBa2Tm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 8°. 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 to two equivalent Ba(1), two equivalent Tm(1), and two equivalent Cu(2) atoms to form a mixture of distorted face, edge, and corner-sharing OBa2Tm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Tm(1), and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded in a 3-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 in a distorted rectangular see-saw-like geometry to two equivalent Ba(2) and two equivalent Cu(3) atoms. is represented by the CIF card [CIF]
data_Ba2LiTmCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.775
_cell_length_b   4.006
_cell_length_c   12.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.314
_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  0.231  1.0
  Ba  Ba1  1  0.500  0.500  0.809  1.0
  Li  Li2  1  0.500  0.000  0.075  1.0
  Tm  Tm3  1  0.500  0.500  0.515  1.0
  Cu  Cu4  1  0.000  0.000  0.637  1.0
  Cu  Cu5  1  0.000  0.000  0.394  1.0
  Cu  Cu6  1  0.000  0.000  0.972  1.0
  O  O7  1  0.500  0.000  0.381  1.0
  O  O8  1  0.000  0.000  0.825  1.0
  O  O9  1  0.500  0.000  0.606  1.0
  O  O10  1  0.000  0.500  0.395  1.0
  O  O11  1  0.000  0.500  0.621  1.0
  O  O12  1  0.000  0.000  0.132  1.0
  O  O13  1  0.000  0.500  0.979  1.0
[/CIF]
.