The crystal structure described by LiBa2SmCoCu2O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a distorted single-bond geometry to one O(1) and two equivalent O(3) 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(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(6), two equivalent O(7), and four equivalent O(4) atoms. Sm(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Co(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(7) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(6) atoms to form distorted corner-sharing CuO5 square pyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sm(1), and two equivalent Cu(1) atoms to form distorted OLiSm2Cu2 trigonal bipyramids that share corners with two equivalent O(2)Ba2Sm2Cu2 octahedra, corners with four equivalent O(6)Ba2Sm2Cu2 octahedra, corners with four equivalent O(1)LiSm2Cu2 trigonal bipyramids, and  an edgeedge with one O(2)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. In the second O site, O(2) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(2)Ba2Sm2Cu2 octahedra, corners with four equivalent O(7)Ba4Co2 octahedra, corners with two equivalent O(1)LiSm2Cu2 trigonal bipyramids, edges with two equivalent O(2)Ba2Sm2Cu2 octahedra,  an edgeedge with one O(1)LiSm2Cu2 trigonal bipyramid, and faces with four equivalent O(6)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-56°. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), four equivalent Ba(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to four equivalent Ba(2), one Co(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to two equivalent Sm(1) and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(6)Ba2Sm2Cu2 octahedra, corners with two equivalent O(7)Ba4Co2 octahedra, corners with four equivalent O(1)LiSm2Cu2 trigonal bipyramids,  an edgeedge with one O(7)Ba4Co2 octahedra, edges with two equivalent O(6)Ba2Sm2Cu2 octahedra, and faces with four equivalent O(2)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Co(1) atoms to form distorted OBa4Co2 octahedra that share corners with two equivalent O(6)Ba2Sm2Cu2 octahedra, corners with two equivalent O(7)Ba4Co2 octahedra, corners with four equivalent O(2)Ba2Sm2Cu2 octahedra,  an edgeedge with one O(6)Ba2Sm2Cu2 octahedra, and edges with two equivalent O(7)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.830
_cell_length_b   4.034
_cell_length_c   12.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.967
_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  0.798  1.0
  Li  Li2  1  0.500  0.000  0.267  1.0
  Sm  Sm3  1  0.500  0.500  0.511  1.0
  Co  Co4  1  0.000  0.000  0.978  1.0
  Cu  Cu5  1  0.000  0.000  0.400  1.0
  Cu  Cu6  1  0.000  0.000  0.637  1.0
  O  O7  1  0.500  0.000  0.404  1.0
  O  O8  1  0.500  0.000  0.630  1.0
  O  O9  1  0.000  0.000  0.129  1.0
  O  O10  1  0.000  0.000  0.840  1.0
  O  O11  1  0.000  0.500  0.393  1.0
  O  O12  1  0.000  0.500  0.630  1.0
  O  O13  1  0.000  0.500  0.977  1.0
[/CIF]
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The crystal structure described by LiBa2SmCoCu2O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a distorted single-bond geometry to one O(1) and two equivalent O(3) 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(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(6), two equivalent O(7), and four equivalent O(4) atoms. Sm(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Co(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(7) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(6) atoms to form distorted corner-sharing CuO5 square pyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sm(1), and two equivalent Cu(1) atoms to form distorted OLiSm2Cu2 trigonal bipyramids that share corners with two equivalent O(2)Ba2Sm2Cu2 octahedra, corners with four equivalent O(6)Ba2Sm2Cu2 octahedra, corners with four equivalent O(1)LiSm2Cu2 trigonal bipyramids, and  an edgeedge with one O(2)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. In the second O site, O(2) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(2)Ba2Sm2Cu2 octahedra, corners with four equivalent O(7)Ba4Co2 octahedra, corners with two equivalent O(1)LiSm2Cu2 trigonal bipyramids, edges with two equivalent O(2)Ba2Sm2Cu2 octahedra,  an edgeedge with one O(1)LiSm2Cu2 trigonal bipyramid, and faces with four equivalent O(6)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-56°. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), four equivalent Ba(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to four equivalent Ba(2), one Co(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to two equivalent Sm(1) and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(6)Ba2Sm2Cu2 octahedra, corners with two equivalent O(7)Ba4Co2 octahedra, corners with four equivalent O(1)LiSm2Cu2 trigonal bipyramids,  an edgeedge with one O(7)Ba4Co2 octahedra, edges with two equivalent O(6)Ba2Sm2Cu2 octahedra, and faces with four equivalent O(2)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Co(1) atoms to form distorted OBa4Co2 octahedra that share corners with two equivalent O(6)Ba2Sm2Cu2 octahedra, corners with two equivalent O(7)Ba4Co2 octahedra, corners with four equivalent O(2)Ba2Sm2Cu2 octahedra,  an edgeedge with one O(6)Ba2Sm2Cu2 octahedra, and edges with two equivalent O(7)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.830
_cell_length_b   4.034
_cell_length_c   12.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.967
_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  0.798  1.0
  Li  Li2  1  0.500  0.000  0.267  1.0
  Sm  Sm3  1  0.500  0.500  0.511  1.0
  Co  Co4  1  0.000  0.000  0.978  1.0
  Cu  Cu5  1  0.000  0.000  0.400  1.0
  Cu  Cu6  1  0.000  0.000  0.637  1.0
  O  O7  1  0.500  0.000  0.404  1.0
  O  O8  1  0.500  0.000  0.630  1.0
  O  O9  1  0.000  0.000  0.129  1.0
  O  O10  1  0.000  0.000  0.840  1.0
  O  O11  1  0.000  0.500  0.393  1.0
  O  O12  1  0.000  0.500  0.630  1.0
  O  O13  1  0.000  0.500  0.977  1.0
[/CIF]
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